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CHEBI:168727 - Eremopetasinorone A

ChEBI IDCHEBI:168727
ChEBI NameEremopetasinorone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILES[H][C@]12CCC(=O)[C@H](C)[C@@]1(C)C=C(C(C)=O)C2
InChIInChI=1S/C13H18O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11H,4-6H2,1-3H3/t8-,11+,13+/m0/s1
InChIKeyJJZRURWGJILXRH-RLCGTCKNSA-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)
Eremopetasinorone A (CHEBI:168727) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(3aR,4R,7aR)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1H-inden-5-one
Manual XrefsDatabases
8759791ChemSpider