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CHEBI:221896 - (1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid

ChEBI IDCHEBI:221896
ChEBI Name(1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O7
Net Charge0
Average Mass292.243
Monoisotopic Mass292.05830
SMILESCC(=O)C[C@H](O)c1coc2cc(O)cc(C(=O)O)c2c1=O
InChIInChI=1S/C14H12O7/c1-6(15)2-10(17)9-5-21-11-4-7(16)3-8(14(19)20)12(11)13(9)18/h3-5,10,16-17H,2H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyPEKVXUBDORIMOH-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23972215)
ChEBI Ontology
Outgoing Relation(s)
(1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid (CHEBI:221896) is a chromones (CHEBI:23238)
IUPAC Name 
7-hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxochromene-5-carboxylic acid
Manual XrefsDatabases
30819428ChemSpider