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CHEBI:169594 - 1-Hydroxyepiacorone

ChEBI IDCHEBI:169594
ChEBI Name1-Hydroxyepiacorone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC(C)[C@]1(O)C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2
InChIInChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3/t10-,11-,14-,15-/m0/s1
InChIKeyLSSIJCQOMTUIIN-GVARAGBVSA-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-Hydroxyepiacorone (CHEBI:169594) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
Manual XrefsDatabases
8976126ChemSpider