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

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ChEBI Name 5-(12,15-Heneicosadienyl)-1,3-benzenediol
ChEBI ID CHEBI:190334
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O2
Net Charge 0
Average Mass 400.647
Monoisotopic Mass 400.33413
InChI InChI=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-
InChIKey CFGQZPIKGWYREM-HZJYTTRNSA-N
SMILES OC1=CC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=CC(O)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
30777382 ChemSpider
HMDB0039871 HMDB
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