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CHEBI:186857 - Hericenone E

ChEBI IDCHEBI:186857
ChEBI NameHericenone E
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)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O
InChIInChI=1S/C37H54O6/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/h10-11,13-14,22,24,26-27,41H,6-9,12,15-21,23,25,28H2,1-5H3/b11-10+,14-13+,30-22+
InChIKeySUAXEWQRYKSWIW-JWUQTBJASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/0040-4039(91)80039-9)
ChEBI Ontology
Outgoing Relation(s)
Hericenone E (CHEBI:186857) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Names 
[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl (9E,12E)-octadeca-9,12-dienoate
[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0039140HMDB
30777326ChemSpider
78434647ChemSpider