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CHEBI:201818 - Grifolaone A

ChEBI IDCHEBI:201818
ChEBI NameGrifolaone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O5
Net Charge0
Average Mass200.190
Monoisotopic Mass200.06847
SMILESCOC(=O)C[C@]1(O)OC(=O)C(C)=C1C
InChIInChI=1S/C9H12O5/c1-5-6(2)9(12,14-8(5)11)4-7(10)13-3/h12H,4H2,1-3H3/t9-/m0/s1
InChIKeyTXDSFGRWSIVPDN-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Grifola frondosa (ncbitaxon:5627) - PubMed (26374926)
ChEBI Ontology
Outgoing Relation(s)
Grifolaone A (CHEBI:201818) is a butenolide (CHEBI:50523)
IUPAC Name 
methyl 2-[(2S)-2-hydroxy-3,4-dimethyl-5-oxouran-2-yl]acetate
Manual XrefsDatabases
78436777ChemSpider