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CHEBI:211893 - Heydenoic acid B

ChEBI IDCHEBI:211893
ChEBI NameHeydenoic acid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC(=O)[C@H]2C[C@@H]1[C@]2(C)CCCC(C)C(=O)O
InChIInChI=1S/C15H22O3/c1-9(14(17)18)5-4-6-15(3)11-8-12(15)13(16)7-10(11)2/h7,9,11-12H,4-6,8H2,1-3H3,(H,17,18)/t9?,11-,12+,15-/m0/s1
InChIKeyUFJUADCKYVUHCT-TVBVRFQCSA-N
Species of MetaboliteComponentSourceComments
Heydenia (ncbitaxon:931642) - PubMed (31598176)
ChEBI Ontology
Outgoing Relation(s)
Heydenoic acid B (CHEBI:211893) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
5-[(1S,5S,6S)-2,6-dimethyl-4-oxo-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpentanoic acid