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CHEBI:172768 - Hericenone D

ChEBI IDCHEBI:172768
ChEBI NameHericenone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O6
Net Charge0
Average Mass598.865
Monoisotopic Mass598.42334
SMILESCCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O
InChIInChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+
InChIKeyZTJZNRQMSBGEOJ-JBASAIQMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Hericenone D (CHEBI:172768) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
Manual XrefsDatabases
30777328ChemSpider
HMDB0039139HMDB