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CHEBI:168260 - 7-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]-2H-chromen-2-one

ChEBI IDCHEBI:168260
ChEBI Name7-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCO/C=C/c1cc2ccc(=O)oc2cc1CO
InChIInChI=1S/C13H12O4/c1-16-5-4-9-6-10-2-3-13(15)17-12(10)7-11(9)8-14/h2-7,14H,8H2,1H3/b5-4+
InChIKeyIUAPLVYPJZFCOT-SNAWJCMRSA-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-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]-2H-chromen-2-one (CHEBI:168260) is a coumarins (CHEBI:23403)
IUPAC Name 
7-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]chromen-2-one
Manual XrefsDatabases
74853963ChemSpider
HMDB0135794HMDB