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CHEBI:191726 - Acetylpanaxydol

ChEBI IDCHEBI:191726
ChEBI NameAcetylpanaxydol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=CC(C#CC#CCC1OC1CCCCCCC)OC(C)=O
InChIInChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h5,17-19H,2,4,6-8,11,14-15H2,1,3H3
InChIKeyTZXIQFAHBPZOMM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Acetylpanaxydol (CHEBI:191726) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
Manual XrefsDatabases
114687ChemSpider
HMDB0041204HMDB
Registry NumbersSources
CAS:121820-32-4ChemIDplus