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CHEBI:199038 - Botryosphaerinone

ChEBI IDCHEBI:199038
ChEBI NameBotryosphaerinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC/C=C\C[C@H]1CC(=O)C[C@H]1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-9-6-11(13)7-10(9)8-12(14)15/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1
InChIKeyAUAYBDNKDWXWEX-CMIOBCHKSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1016/j.tet.2009.10.084)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerinone (CHEBI:199038) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2-[(1S,2S)-4-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
Manual XrefsDatabases
75143091ChemSpider