CHEBI:187120 - Hericenone H

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hericenone H
ChEBI ID CHEBI:187120
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H54O6
Net Charge 0
Average Mass 594.833
Monoisotopic Mass 594.39204
InChI InChI=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+
InChIKey WQODVCURNLADTH-IWCZYTNJSA-N
SMILES O1C(CCC=2C1=C(C(=CC2OC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)C=O)(CC(=O)C=C(C)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Hericium erinaceus (NCBI:txid91752) See: DOI
ChEBI Ontology
Outgoing 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 Xrefs Databases
78435114 ChemSpider
8591506 ChemSpider
HMDB0039595 HMDB
View more database links
Last Modified
24 February 2022