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CHEBI:229042 - Acanthospermolide

ChEBI IDCHEBI:229042
ChEBI NameAcanthospermolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESC=C1C(=O)OC2/C=C(\C)CC/C=C(/C=O)C(OC)C(OC(=O)C(C)C)C12
InChIInChI=1S/C20H26O6/c1-11(2)19(22)26-18-16-13(4)20(23)25-15(16)9-12(3)7-6-8-14(10-21)17(18)24-5/h8-11,15-18H,4,6-7H2,1-3,5H3/b12-9+,14-8-
InChIKeySKCDPGIEMVQDCR-DEUWJHJESA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Acanthospermolide (CHEBI:229042) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6E,10E)-6-ormyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] 2-methylpropanoate
Manual XrefsDatabases
4513621ChemSpider