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CHEBI:171689 - Ginsenoyne A linoleate

ChEBI IDCHEBI:171689
ChEBI NameGinsenoyne A linoleate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O3
Net Charge0
Average Mass520.798
Monoisotopic Mass520.39165
SMILESC=CCCCCCC1OC1CC#CC#CC(C=C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
InChIInChI=1S/C35H52O3/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/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+
InChIKeyBFPKTKVUPNVZLI-XUPYMNJSSA-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)
Ginsenoyne A linoleate (CHEBI:171689) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name 
8-(3-hept-6-enyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl (9E,12E)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0041203HMDB
35015127ChemSpider