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CHEBI:172742 - Hericene A

ChEBI IDCHEBI:172742
ChEBI NameHericene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O5
Net Charge0
Average Mass556.828
Monoisotopic Mass556.41277
SMILESCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CCC=C(C)C)c(O)c1C=O
InChIInChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+
InChIKeyPLUINHYLFTYIKB-BYNJWEBRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Hericene A (CHEBI:172742) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
Manual XrefsDatabases
28289227ChemSpider
HMDB0041179HMDB