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CHEBI:168222 - 1-Hydroxyacorenone

ChEBI IDCHEBI:168222
ChEBI Name1-Hydroxyacorenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CCC2(CC1=O)C(C)CC(=O)C2(O)C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3
InChIKeyPUPNOMJEHZIMFF-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)
1-Hydroxyacorenone (CHEBI:168222) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
Manual XrefsDatabases
HMDB0030917HMDB
35013287ChemSpider