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CHEBI:216204 - 2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one

ChEBI IDCHEBI:216204
ChEBI Name2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O7
Net Charge0
Average Mass232.188
Monoisotopic Mass232.05830
SMILESCOC(=O)[C@]1(O)C(OC)=C(O)C(=O)[C@@]1(C)O
InChIInChI=1S/C9H12O7/c1-8(13)5(11)4(10)6(15-2)9(8,14)7(12)16-3/h10,13-14H,1-3H3/t8-,9-/m1/s1
InChIKeyFGQFFODKJBQKCL-RKDXNWHRSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (26204946)
ChEBI Ontology
Outgoing Relation(s)
2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one (CHEBI:216204) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
methyl (1R,5S)-1,3,5-trihydroxy-2-methoxy-5-methyl-4-oxocyclopent-2-ene-1-carboxylate
Manual XrefsDatabases
35517142ChemSpider