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CHEBI:171905 - Panaxydol linoleate

ChEBI IDCHEBI:171905
ChEBI NamePanaxydol linoleate
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O3
Net Charge0
Average Mass522.814
Monoisotopic Mass522.40730
SMILESC=CC(C#CC#CCC1OC1CCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C35H54O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h6,12-13,15-16,32-34H,3-5,7-11,14,17-22,25,27,29-31H2,1-2H3/b13-12-,16-15-
InChIKeyMGQITZGZKLABCX-QGLGPCELSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Panaxydol linoleate (CHEBI:171905) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9Z,12Z)-octadeca-9,12-dienoate