Dataset

(1S,2R,3E,7E,11E)-2,16,19-TRIHYDROXYCEMBRA-3,7,11,15-TETRAENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010638 contains the MS mass spectrum of (1S,2R,3E,7E,11E)-2,16,19-TRIHYDROXYCEMBRA-3,7,11,15-TETRAENE with the InChIkey NOLQVIDYFVOCMG-BAOFUKJUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H32O3/c1-15-6-4-8-18(14-22)9-5-7-16(2)12-20(23)19(11-10-15)17(3)13-21/h6,9,12-13,19-23H,4-5,7-8,10-11,14H2,1-3H3/b15-6+,16-12+,17-13+,18-9+/t19-,20+/m0/s1
SMILES OCC(C1)=C([H])CCC(C)=C([H])C([H])(O)C([H])(CCC(C)=C([H])C1)C(C)=CO
InChI Key NOLQVIDYFVOCMG-BAOFUKJUSA-N
Molecular Formula C20H32O3
Exact Mass 320.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010638
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2E,6E,10E,14S)-7-(hydroxymethyl)-14-[(E)-1-hydroxyprop-1-en-2-yl]-3,11-dimethylcyclotetradeca-2,6,10-trien-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134753088 PubChem
    The data in this table is sourced from UniChem at EBI.