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CHEBI:202842 - Hericenone I

ChEBI IDCHEBI:202842
ChEBI NameHericenone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O6
Net Charge0
Average Mass596.849
Monoisotopic Mass596.40769
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O
InChIInChI=1S/C37H56O6/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/h13-14,22,24,26-27,41H,6-12,15-21,23,25,28H2,1-5H3/b14-13-,30-22+
InChIKeyWODZEWRMRMSHAK-BKGMUGDRSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (20924382)
ChEBI Ontology
Outgoing Relation(s)
Hericenone I (CHEBI:202842) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate
Manual XrefsDatabases
78435616ChemSpider