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CHEBI:187120 - Hericenone H

ChEBI IDCHEBI:187120
ChEBI NameHericenone H
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O6
Net Charge0
Average Mass594.833
Monoisotopic Mass594.39204
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)OC(C)(CC(=O)C=C(C)C)CC2
InChIInChI=1S/C37H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(40)42-28-30-25-34(41-5)32-22-23-37(4,26-31(39)24-29(2)3)43-36(32)33(30)27-38/h10-11,13-14,24-25,27H,6-9,12,15-23,26,28H2,1-5H3/b11-10+,14-13+
InChIKeyWQODVCURNLADTH-IWCZYTNJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/0031-9422(92)80127-z)
ChEBI Ontology
Outgoing Relation(s)
Hericenone H (CHEBI:187120) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Names 
[8-ormyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate
[8-ormyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0039595HMDB
8591506ChemSpider
78435114ChemSpider