CHEBI:192329 - Hericene C

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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 Hericene C
ChEBI ID CHEBI:192329
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H60O5
Net Charge 0
Average Mass 584.882
Monoisotopic Mass 584.44408
InChI InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+
InChIKey MUPDKCFZUFURPT-QCKNELIISA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)CC=1C(=C(O)C(C/C=C(/CCC=C(C)C)\C)=C(OC)C1)C=O
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing Hericene C (CHEBI:192329) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
Manual Xrefs Databases
28534152 ChemSpider
HMDB0041181 HMDB
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