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CHEBI:203658 - Columbetdione

ChEBI IDCHEBI:203658
ChEBI NameColumbetdione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESCCC(=O)C1=C(C(C)=O)CC[C@@H]1O
InChIInChI=1S/C10H14O3/c1-3-8(12)10-7(6(2)11)4-5-9(10)13/h9,13H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyXQXKJSBKORUUAZ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Tricholoma columbetta (ncbitaxon:176010) - DOI (10.1002/ejoc.200390104)
ChEBI Ontology
Outgoing Relation(s)
Columbetdione (CHEBI:203658) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-(2-acetyl-5-hydroxycyclopenten-1-yl)propan-1-one
Manual XrefsDatabases
9129370ChemSpider