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CHEBI:168134 - 6-(1-hydroxy-3-oxobutyl)-7-methoxy-2H-chromen-2-one

ChEBI IDCHEBI:168134
ChEBI Name6-(1-hydroxy-3-oxobutyl)-7-methoxy-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCOc1cc2oc(=O)ccc2cc1C(O)CC(C)=O
InChIInChI=1S/C14H14O5/c1-8(15)5-11(16)10-6-9-3-4-14(17)19-12(9)7-13(10)18-2/h3-4,6-7,11,16H,5H2,1-2H3
InChIKeyIKTQFLXJWYKGDA-UHFFFAOYSA-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-(1-hydroxy-3-oxobutyl)-7-methoxy-2H-chromen-2-one (CHEBI:168134) is a coumarins (CHEBI:23403)
IUPAC Name 
6-(1-hydroxy-3-oxobutyl)-7-methoxychromen-2-one
Manual XrefsDatabases
HMDB0128958HMDB
74852396ChemSpider