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CHEBI:190334 - 5-(12,15-Heneicosadienyl)-1,3-benzenediol

ChEBI IDCHEBI:190334
ChEBI Name5-(12,15-Heneicosadienyl)-1,3-benzenediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h6-7,9-10,22-24,28-29H,2-5,8,11-21H2,1H3/b7-6-,10-9-
InChIKeyCFGQZPIKGWYREM-HZJYTTRNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
5-(12,15-Heneicosadienyl)-1,3-benzenediol (CHEBI:190334) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-[(12Z,15Z)-henicosa-12,15-dienyl]benzene-1,3-diol
Manual XrefsDatabases
30777382ChemSpider
HMDB0039871HMDB