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CHEBI:168006 - 7-hydroxy-6-(3-oxobut-1-en-1-yl)-2H-chromen-2-one

Default Structure
ChEBI IDCHEBI:168006
ChEBI Name7-hydroxy-6-(3-oxobut-1-en-1-yl)-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10O4
Net Charge0
Average Mass230.219
Monoisotopic Mass230.05791
SMILESCC(=O)/C=C/c1cc2ccc(=O)oc2cc1O
InChIInChI=1S/C13H10O4/c1-8(14)2-3-9-6-10-4-5-13(16)17-12(10)7-11(9)15/h2-7,15H,1H3/b3-2+
InChIKeyCYZCZHQTXQKGIS-NSCUHMNNSA-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)
7-hydroxy-6-(3-oxobut-1-en-1-yl)-2H-chromen-2-one (CHEBI:168006) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
7-hydroxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one
Manual XrefsDatabases
74852390ChemSpider