CHEBI:186857 - Hericenone E

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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 E
ChEBI ID CHEBI:186857
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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(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+
InChIKey SUAXEWQRYKSWIW-JWUQTBJASA-N
SMILES O(C(=O)CCCCCCC/C=C/C\C=C\CCCCC)CC=1C(=C(O)C(C/C=C(/CC(=O)C=C(C)C)\C)=C(OC)C1)C=O
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 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 Xrefs Databases
30777326 ChemSpider
78434647 ChemSpider
HMDB0039140 HMDB
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Last Modified
24 February 2022