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CHEBI:182929 - Hydroheptilidic-acid

ChEBI IDCHEBI:182929
ChEBI NameHydroheptilidic-acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESCC(C)C1CCC2(O)COC(=O)C2C1/C=C(\CO)C(=O)O
InChIInChI=1S/C15H22O6/c1-8(2)10-3-4-15(20)7-21-14(19)12(15)11(10)5-9(6-16)13(17)18/h5,8,10-12,16,20H,3-4,6-7H2,1-2H3,(H,17,18)/b9-5+
InChIKeyWGNDRSIKIXVFLD-WEVVVXLNSA-N
ChEBI Ontology
Outgoing Relation(s)
Hydroheptilidic-acid (CHEBI:182929) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(E)-3-(7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid