CHEBI:172768 - Hericenone D

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ChEBI Name Hericenone D
ChEBI ID CHEBI:172768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H58O6
Net Charge 0
Average Mass 598.865
Monoisotopic Mass 598.42334
InChI InChI=1S/C37H58O6/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/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+
InChIKey ZTJZNRQMSBGEOJ-JBASAIQMSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)CC=1C(=C(O)C(=C(OC)C1)C/C=C(/CC(=O)C=C(C)C)\C)C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Hericenone D (CHEBI:172768) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
Manual Xrefs Databases
30777328 ChemSpider
HMDB0039139 HMDB
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