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CHEBI:168072 - 6-(4-hydroxy-3-oxobut-1-en-1-yl)-7-methoxy-2H-chromen-2-one

ChEBI IDCHEBI:168072
ChEBI Name6-(4-hydroxy-3-oxobut-1-en-1-yl)-7-methoxy-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O5
Net Charge0
Average Mass260.245
Monoisotopic Mass260.06847
SMILESCOc1cc2oc(=O)ccc2cc1/C=C/C(=O)CO
InChIInChI=1S/C14H12O5/c1-18-12-7-13-10(3-5-14(17)19-13)6-9(12)2-4-11(16)8-15/h2-7,15H,8H2,1H3/b4-2+
InChIKeyGDPRPVGERNARGD-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-(4-hydroxy-3-oxobut-1-en-1-yl)-7-methoxy-2H-chromen-2-one (CHEBI:168072) is a coumarins (CHEBI:23403)
IUPAC Name 
6-[(E)-4-hydroxy-3-oxobut-1-enyl]-7-methoxychromen-2-one