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CHEBI:169132 - Prehumulinic acid

ChEBI IDCHEBI:169132
ChEBI NamePrehumulinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCC(C)=CCC1C(O)=C(C(=O)CCC(C)C)C(=O)C1O
InChIInChI=1S/C16H24O4/c1-9(2)5-7-11-14(18)13(16(20)15(11)19)12(17)8-6-10(3)4/h5,10-11,15,18-19H,6-8H2,1-4H3
InChIKeyCSFQFNFIMMVHNX-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)
Prehumulinic acid (CHEBI:169132) is a enol (CHEBI:33823)
Prehumulinic acid (CHEBI:169132) is a enone (CHEBI:51689)
IUPAC Name 
3,5-dihydroxy-4-(3-methylbut-2-enyl)-2-(4-methylpentanoyl)cyclopent-2-en-1-one