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CHEBI:192329 - Hericene C

ChEBI IDCHEBI:192329
ChEBI NameHericene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O5
Net Charge0
Average Mass584.882
Monoisotopic Mass584.44408
SMILESCCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CCC=C(C)C)c(O)c1C=O
InChIInChI=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+
InChIKeyMUPDKCFZUFURPT-QCKNELIISA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0041181HMDB
28534152ChemSpider