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CHEBI:169886 - Humulinic acid A

ChEBI IDCHEBI:169886
ChEBI NameHumulinic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(C)=CCC1C(O)=C(C(=O)CC(C)C)C(=O)C1O
InChIInChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9-10,14,17-18H,6-7H2,1-4H3
InChIKeyQQVAPOXIKLJNTA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Humulinic acid A (CHEBI:169886) is a enol (CHEBI:33823)
Humulinic acid A (CHEBI:169886) is a enone (CHEBI:51689)
IUPAC Name 
3,5-dihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)cyclopent-2-en-1-one