15 datasets found
  1. T

    (1~{R},4~{S},7~{S},8~{S},9~{R},13~{S},14~{S},18~{S},22~{R},25~{R},27~{R},28~{S},29~{S},30~{R},32~{R},35~{S},37~{R},38~{R},41~{R},42~{R},46~{S},53~{S},54~{R},55~{R},56~{R},57~{S},58~{R})-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione...

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). (1~{R},4~{S},7~{S},8~{S},9~{R},13~{S},14~{S},18~{S},22~{R},25~{R},27~{R},28~{S},29~{S},30~{R},32~{R},35~{S},37~{R},38~{R},41~{R},42~{R},46~{S},53~{S},54~{R},55~{R},56~{R},57~{S},58~{R})-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0211455.10
    Explore at:
    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  2. n

    InChI=1/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42...

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). InChI=1/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42 [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0276052.1
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  3. n

    methyl...

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). methyl 22-amino-32-chloro-2,18,26,31,44,47,49,64-octahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylate [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0513134.0
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  4. S

    ~{N}-[1-(1-carbamoylvinylcarbamoyl)vinyl]-2-[(1~{R},6~{Z},8~{S},9~{Z},11~{Z},15~{S},16~{Z},18~{S},23~{E},26~{R},35~{R},37~{S},38~{E},40~{S},41~{E},44~{E},46~{S},47~{E},51~{R},53~{R},59~{S})-18-[(1~{R},2~{R})-1,2-dihydroxy-1-methyl-propyl]-11-ethylidene-6,9,16,38,41,44,47,59-octahydroxy-31-[(1~{S})-1-hydroxyethyl]-8-[(1~{R})-1-hydroxyethyl]-26,40,46-trimethyl-43-methylene-37-[(1~{R})-1-methylpropyl]-28-oxo-23-sulfanyl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.3^{29,35}.1^{2,5}.1^{12,15}.1^{19,22}.1^{54,57}.0^{1,53}.0^{32,60}]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,54,57,60-nonadecaen-51-yl]thiazole-4-carboxamide...

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). ~{N}-[1-(1-carbamoylvinylcarbamoyl)vinyl]-2-[(1~{R},6~{Z},8~{S},9~{Z},11~{Z},15~{S},16~{Z},18~{S},23~{E},26~{R},35~{R},37~{S},38~{E},40~{S},41~{E},44~{E},46~{S},47~{E},51~{R},53~{R},59~{S})-18-[(1~{R},2~{R})-1,2-dihydroxy-1-methyl-propyl]-11-ethylidene-6,9,16,38,41,44,47,59-octahydroxy-31-[(1~{S})-1-hydroxyethyl]-8-[(1~{R})-1-hydroxyethyl]-26,40,46-trimethyl-43-methylene-37-[(1~{R})-1-methylpropyl]-28-oxo-23-sulfanyl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.3^{29,35}.1^{2,5}.1^{12,15}.1^{19,22}.1^{54,57}.0^{1,53}.0^{32,60}]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,54,57,60-nonadecaen-51-yl]thiazole-4-carboxamide [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0492455.1
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  5. N

    2-[18-(1,2-dihydroxy-1-methyl-propyl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylene-28-oxo-37-~{sec}-butyl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.3^{29,35}.1^{2,5}.1^{12,15}.1^{19,22}.1^{54,57}.0^{1,53}.0^{32,60}]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,51,54,57,60-icosaen-51-yl]thiazole-4-carboxamide...

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 2-[18-(1,2-dihydroxy-1-methyl-propyl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylene-28-oxo-37-~{sec}-butyl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.3^{29,35}.1^{2,5}.1^{12,15}.1^{19,22}.1^{54,57}.0^{1,53}.0^{32,60}]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,51,54,57,60-icosaen-51-yl]thiazole-4-carboxamide [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0583590.0
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  6. N

    22.1d

    • search.nfdi4chem.de
    html
    Updated Feb 3, 2025
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    nmrXiv (2025). 22.1d [Dataset]. https://search.nfdi4chem.de/dataset/22-1d
    Explore at:
    htmlAvailable download formats
    Dataset updated
    Feb 3, 2025
    Dataset provided by
    nmrXiv
    License

    Attribution-NonCommercial-ShareAlike 4.0 (CC BY-NC-SA 4.0)https://creativecommons.org/licenses/by-nc-sa/4.0/
    License information was derived automatically

    Description

    This dataset contains NMR spectra obtained for the sample -22 date: 2020-10-28T01:42:34.000Z isFt: true name: 22/1 phc0: -57.78284 phc1: 43.86982 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.11232965103665786 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.0005 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 179 relaxationTime: 1 acquisitionTime: 0.008900000000007798 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 26595.74468085106 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-28T03:07:00.000Z isFt: true name: 22/2 phc0: 39.65926 phc1: 184.9685 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.7 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 9.85986938919975 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9838256835938 temperature: 299.9996 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 1024 pulseSequence: udeft spectralWidth: 236.636865340794 numberOfPoints: 25 relaxationTime: 4 acquisitionTime: 0.00040319999999999825 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2020-10-28T03:14:51.000Z isFt: false name: 22/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 299.9994 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-28T03:17:44.000Z isFt: false name: 22/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 299.9992 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 16666.666666666668 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-28T03:18:35.000Z isFt: false name: 22/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 300.0008 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 26595.74468085106 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2020-10-28T03:22:52.000Z isFt: false name: 22/6 phc0: -144.649,-163.5878 phc1: -180.0023,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 297.9959 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 26595.74468085106 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2020-10-28T03:27:25.000Z isFt: false name: 22/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 299.9995 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 26595.74468085106 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4

  7. n

    [(11~{S},12~{R},14~{R},37~{R},38~{S},39~{S},56~{R})-11,37-diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.4^{13,27}.0^{3,8}.0^{18,23}.0^{29,34}.0^{42,47}.0^{48,52}.0^{24,58}]hexaconta-1(50),3,5,7,18(23),19,21,24,26,29,31,33,42(47),43,45,48,51,57-octadecaen-12-yl]...

    • coconut.naturalproducts.net
    Updated Sep 18, 2025
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2025). [(11~{S},12~{R},14~{R},37~{R},38~{S},39~{S},56~{R})-11,37-diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.4^{13,27}.0^{3,8}.0^{18,23}.0^{29,34}.0^{42,47}.0^{48,52}.0^{24,58}]hexaconta-1(50),3,5,7,18(23),19,21,24,26,29,31,33,42(47),43,45,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0420299.2
    Explore at:
    Dataset updated
    Sep 18, 2025
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  8. N

    (2~{S})-2-[[(2~{E},2~{a}~{E},4~{S},5~{E},14~{E},17~{E},19~{S},20~{E},23~{E},26~{E},28~{S},29~{E},37~{E},39~{S},40~{E},42~{S},43~{Z},45~{S},46~{E},48~{S},49~{E},51~{S},52~{E},54~{R},55~{E},58~{E},61~{E},64~{E},67~{E},70~{E},73~{E},81~{E},90~{E},93~{E},96~{E})-75-amino-66-(4-aminobutyl)-7,39,69-tris(3-amino-3-oxo-propyl)-60-(2-carboxyethyl)-83-(carboxymethyl)-2,3~{a},5,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62,65,68,71,74,81,90,93,96-hexacosahydroxy-4-[(1~{R})-1-hydroxyethyl]-51-(hydroxymethyl)-45,57,92-tris[(4-hydroxyphenyl)methyl]-95-(1~{H}-imidazol-5-ylmethyl)-42-isobutyl-16,48-diisopropyl-72-methyl-19,28-bis[(1~{S})-1-methylpropyl]-8,84-dioxo-~{a},33,34,77,78,99-hexathia-2~{a},3,6,9,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61,64,67,70,73,82,85,91,94,97-octacosazapentacyclo[52.43.4.2^{36,80}.0^{9,13}.0^{85,89}]trihecta-2,2~{a}(3~{a}),5,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,81,90,93,96-hexacosaene-31-carbonyl]amino]propanoic...

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). (2~{S})-2-[[(2~{E},2~{a}~{E},4~{S},5~{E},14~{E},17~{E},19~{S},20~{E},23~{E},26~{E},28~{S},29~{E},37~{E},39~{S},40~{E},42~{S},43~{Z},45~{S},46~{E},48~{S},49~{E},51~{S},52~{E},54~{R},55~{E},58~{E},61~{E},64~{E},67~{E},70~{E},73~{E},81~{E},90~{E},93~{E},96~{E})-75-amino-66-(4-aminobutyl)-7,39,69-tris(3-amino-3-oxo-propyl)-60-(2-carboxyethyl)-83-(carboxymethyl)-2,3~{a},5,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62,65,68,71,74,81,90,93,96-hexacosahydroxy-4-[(1~{R})-1-hydroxyethyl]-51-(hydroxymethyl)-45,57,92-tris[(4-hydroxyphenyl)methyl]-95-(1~{H}-imidazol-5-ylmethyl)-42-isobutyl-16,48-diisopropyl-72-methyl-19,28-bis[(1~{S})-1-methylpropyl]-8,84-dioxo-~{a},33,34,77,78,99-hexathia-2~{a},3,6,9,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61,64,67,70,73,82,85,91,94,97-octacosazapentacyclo[52.43.4.2^{36,80}.0^{9,13}.0^{85,89}]trihecta-2,2~{a}(3~{a}),5,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,81,90,93,96-hexacosaene-31-carbonyl]amino]propanoic acid [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0589340.1
    Explore at:
    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  9. N

    methyl...

    • coconut.naturalproducts.net
    Updated May 17, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). methyl 2-[2-[[2-[18-(1,2-dihydroxy-1-methyl-propyl)-11-ethylidene-6,9,16,38,41,44,47,59-octahydroxy-8,31-bis(1-hydroxyethyl)-37-isopropyl-26,40,46-trimethyl-43-methylene-28-oxo-23-sulfanyl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.3^{29,35}.1^{2,5}.1^{12,15}.1^{19,22}.1^{54,57}.0^{1,53}.0^{32,60}]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,51,54,57,60-icosaen-51-yl]thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0570179.0
    Explore at:
    Dataset updated
    May 17, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  10. N

    3-[(4~{S},7~{S},13~{R},16~{S},22~{S},28~{S},31~{S},34~{S},37~{R},52~{R},55~{S},58~{R},76~{S},82~{S},88~{S})-43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-oxo-ethyl)-31-(3-guanidinopropyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1~{H}-indol-3-ylmethyl)-64-isobutyl-40,94-diisopropyl-67,70-dimethyl-22,76,88-tris[(1~{S})-1-methylpropyl]-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-2~{a},3~{a},6~{a},7~{a},98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.4^{13,58}.4^{37,79}.0^{16,20}.0^{82,86}]octahectan-7-yl]propanoic...

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). 3-[(4~{S},7~{S},13~{R},16~{S},22~{S},28~{S},31~{S},34~{S},37~{R},52~{R},55~{S},58~{R},76~{S},82~{S},88~{S})-43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-oxo-ethyl)-31-(3-guanidinopropyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1~{H}-indol-3-ylmethyl)-64-isobutyl-40,94-diisopropyl-67,70-dimethyl-22,76,88-tris[(1~{S})-1-methylpropyl]-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-2~{a},3~{a},6~{a},7~{a},98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.4^{13,58}.4^{37,79}.0^{16,20}.0^{82,86}]octahectan-7-yl]propanoic acid [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0575954.1
    Explore at:
    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  11. n

    methyl...

    • coconut.naturalproducts.net
    Updated Sep 23, 2024
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    COCONUT - COlleCtion of Open Natural prodUcTs (2024). methyl (1~{R},2~{S},18~{R},19~{S},20~{Z},22~{S},34~{S},35~{Z},37~{S},38~{Z},40~{S},52~{R},53~{E},55~{Z},58~{Z})-22-amino-2-[(2~{S},4~{S},5~{R},6~{S})-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-18,21,26,31,35,38,44,49,54,56,59-undecahydroxy-30-methyl-47-[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-64-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-[[(2~{R},3~{R},4~{S},5~{S},6~{S})-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,20,23,25,27(61),29(60),30,32,35,38,41(57),42,44,46,48,50,53,55,58,62,65-heptacosaene-52-carboxylate [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0341766.1
    Explore at:
    Dataset updated
    Sep 23, 2024
    Dataset authored and provided by
    COCONUT - COlleCtion of Open Natural prodUcTs
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Natural product in the COCONUT database with details of source organisms, geolocations and citations.

  12. N

    Phosphatidylethanolamine 18:0-18:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.54;...

    • search.nfdi4chem.de
    • msbi.ipb-halle.de
    • +2more
    html
    Updated Jul 14, 2025
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    MassBank (2025). Phosphatidylethanolamine 18:0-18:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.54; Exp: 1 [Dataset]. https://search.nfdi4chem.de/dataset/msbnk-chubu_univ-ut001125
    Explore at:
    htmlAvailable download formats
    Dataset updated
    Jul 14, 2025
    Dataset provided by
    MassBank
    License

    Attribution-NonCommercial-ShareAlike 4.0 (CC BY-NC-SA 4.0)https://creativecommons.org/licenses/by-nc-sa/4.0/
    License information was derived automatically

    Description

    This MassBank record with Accession MSBNK-Chubu_Univ-UT001125 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:0-18:3 with the InChIkey LXDJYUCSACQJRW-FQQNHZGCSA-N.

  13. N

    Calancardin A.1d

    • search.nfdi4chem.de
    html
    Updated Feb 3, 2025
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    nmrXiv (2025). Calancardin A.1d [Dataset]. https://search.nfdi4chem.de/dataset/calancardin-a-1d
    Explore at:
    htmlAvailable download formats
    Dataset updated
    Feb 3, 2025
    Dataset provided by
    nmrXiv
    Description

    This dataset contains NMR spectra obtained for the sample -Calancardin A date: 2022-06-29T13:32:37.000Z isFt: true name: Calancardin A/0 phc0: 112.0828 phc1: -20.07775 type: NMR Spectrum DECIM: 840 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.4.1 DSPFVS: 21 nucleus: 13C reverse: false solvent: Acetone dimension: 1 increment: null isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.1408 spectrumSize: 65536 baseFrequency: 100.61779753 fieldStrength: 9.396159066431597 numberOfScans: 1858 pulseSequence: zgpg30 spectralWidth: 236.607296466315 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 11067.957728002399 originFrequency: 100.628865487728 pulseStrength90: 23148.148148148146 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-25T08:03:05.000Z isFt: true name: Calancardin A/0 phc0: -306.7344 phc1: 4.550801 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.7.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 0.27311998438727597 isComplex: true probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.151 spectrumSize: 65536 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.4839988290457 numberOfPoints: 76 relaxationTime: 1 acquisitionTime: 0.004574999999999991 frequencyOffset: 2400.8999999978187 originFrequency: 400.1524009 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-07-07T02:18:53.000Z isFt: true name: Calancardin A/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 3.4139895629337 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: cosy groupDelay: 68 temperature: 298.1531 spectrumSize: 2048,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0003660000000000007 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,640 lpNumberOfCoefficients: 0,80 windowMultiplicationMode: 4,4 date: 2022-07-07T04:51:38.000Z isFt: true name: Calancardin A/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.9262767682288855 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hmbc groupDelay: 68 temperature: 298.1113 spectrumSize: 4096,1024 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: hmbcetgpl3nd spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.00042700000000000084 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 3,4 date: 2022-07-07T03:48:39.000Z isFt: true name: Calancardin A/0 phc0: -122.9406,0 phc1: 0,0 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: Acetone dimension: 2 increment: 2.560492172200275 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: hsqc groupDelay: 68 temperature: 298.123 spectrumSize: 2048,2048 baseFrequency: 400.15,100.61779753 fieldStrength: 9.398161044985478 numberOfScans: 8 pulseSequence: hsqcedetgpsp.3 spectralWidth: 20.4839373776022,236.607299999999 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00048800000000000097 frequencyOffset: 3601.349999996728,11067.957728002399 originFrequency: 400.15360135,100.628865487728 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-07-07T03:24:44.000Z isFt: true name: Calancardin A/0 phc0: 59.35778,85.86724 phc1: -5,-174.25 type: NMR Spectrum DECIM: 2440 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: Acetone dimension: 2 increment: 2.9262767682288855 isComplex: false probeName: Z167430_0027 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.14 spectrumSize: 1024,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 4 pulseSequence: noesygpphzs spectralWidth: 20.4839373776022,20.4839382977791 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.00042700000000000084 frequencyOffset: 3601.349999996728,3601.349999996728 originFrequency: 400.15360135,400.15360135 pulseStrength90: 20833.333333333332 experimentNumber: 0 acquisitionScheme: States-TPPI linearPredictionBin: 0,800 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4

  14. N

    4-5.1d

    • search.nfdi4chem.de
    html
    Updated Feb 3, 2025
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    nmrXiv (2025). 4-5.1d [Dataset]. https://search.nfdi4chem.de/dataset/4-5-1d
    Explore at:
    htmlAvailable download formats
    Dataset updated
    Feb 3, 2025
    Dataset provided by
    nmrXiv
    License

    Attribution-NonCommercial-ShareAlike 4.0 (CC BY-NC-SA 4.0)https://creativecommons.org/licenses/by-nc-sa/4.0/
    License information was derived automatically

    Description

    This dataset contains NMR spectra obtained for the sample -4-5 date: 2021-10-20T02:19:53.000Z isFt: false name: 4-5/1 phc0: 0 phc1: 0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1483 spectrumSize: 65536 baseFrequency: 500.13 digitalFilter: 67.9862518310547 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-10-20T04:08:48.000Z isFt: false name: 4-5/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 298.1502 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-10-20T04:24:40.000Z isFt: false name: 4-5/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 298.1494 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 256 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 15384.615384615385 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-10-20T04:29:50.000Z isFt: false name: 4-5/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 298.1496 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 19516.003122560498 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-10-20T04:31:55.000Z isFt: false name: 4-5/6 phc0: -159.3368,3.253899 phc1: -12.14621,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 298.1521 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 19516.003122560498 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-10-20T04:42:21.000Z isFt: false name: 4-5/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 298.1495 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 19516.003122560498 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2021-10-20T05:04:30.000Z isFt: false name: 4-5/8 phc0: -44.21659,267.9648 phc1: 30.88338,-180 type: NMR FID DECIM: 4000 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: noesy groupDelay: 67.9842834472656 temperature: 298.1486 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.9842834472656 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: noesygpphpp spectralWidth: 9.99735368826195,9.99735368826195 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2350.610999997116,2350.610999997116 originFrequency: 500.132350611,500.132350611 pulseStrength90: 19516.003122560498 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4

  15. N

    PE(16:0/11,12-EpETE); LC-ESI-QTOF; MS2

    • search.nfdi4chem.de
    • massbank.jp
    • +2more
    html
    Updated Jul 15, 2025
    + more versions
    Share
    FacebookFacebook
    TwitterTwitter
    Email
    Click to copy link
    Link copied
    Close
    Cite
    MassBank (2025). PE(16:0/11,12-EpETE); LC-ESI-QTOF; MS2 [Dataset]. https://search.nfdi4chem.de/dataset/msbnk-riken_ims-lqa00172
    Explore at:
    htmlAvailable download formats
    Dataset updated
    Jul 15, 2025
    Dataset provided by
    MassBank
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    This MassBank record with Accession MSBNK-RIKEN_IMS-LQA00172 contains the MS2 mass spectrum of PE(16:0/11,12-EpETE) with the InChIkey JVKAADADRITYBM-KUBNLKIOSA-N.

  16. Not seeing a result you expected?
    Learn how you can add new datasets to our index.

Share
FacebookFacebook
TwitterTwitter
Email
Click to copy link
Link copied
Close
Cite
COCONUT - COlleCtion of Open Natural prodUcTs (2024). (1~{R},4~{S},7~{S},8~{S},9~{R},13~{S},14~{S},18~{S},22~{R},25~{R},27~{R},28~{S},29~{S},30~{R},32~{R},35~{S},37~{R},38~{R},41~{R},42~{R},46~{S},53~{S},54~{R},55~{R},56~{R},57~{S},58~{R})-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione [Dataset]. https://coconut.naturalproducts.net/compounds/CNP0211455.10

(1~{R},4~{S},7~{S},8~{S},9~{R},13~{S},14~{S},18~{S},22~{R},25~{R},27~{R},28~{S},29~{S},30~{R},32~{R},35~{S},37~{R},38~{R},41~{R},42~{R},46~{S},53~{S},54~{R},55~{R},56~{R},57~{S},58~{R})-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione

Explore at:
Dataset updated
Sep 23, 2024
Dataset authored and provided by
COCONUT - COlleCtion of Open Natural prodUcTs
License

Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
License information was derived automatically

Description

Natural product in the COCONUT database with details of source organisms, geolocations and citations.

Search
Clear search
Close search
Google apps
Main menu