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CHEBI:211886 - Heydenoic acid A

ChEBI IDCHEBI:211886
ChEBI NameHeydenoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCC1=CC(=O)[C@H]2C[C@@H]1[C@]2(C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C15H20O3/c1-9(14(17)18)5-4-6-15(3)11-8-12(15)13(16)7-10(11)2/h5,7,11-12H,4,6,8H2,1-3H3,(H,17,18)/b9-5+/t11-,12+,15-/m0/s1
InChIKeySCBWJXZVGDGHPJ-KJTIKOJOSA-N
Species of MetaboliteComponentSourceComments
Heydenia (ncbitaxon:931642) - PubMed (31598176)
ChEBI Ontology
Outgoing Relation(s)
Heydenoic acid A (CHEBI:211886) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-5-[(1S,5S,6S)-2,6-dimethyl-4-oxo-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enoic acid