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CHEBI:202288 - 4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin

ChEBI IDCHEBI:202288
ChEBI Name4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCOCc1c(O)c2cc(O)c(CO)cc2oc1=O
InChIInChI=1S/C12H12O6/c1-17-5-8-11(15)7-3-9(14)6(4-13)2-10(7)18-12(8)16/h2-3,13-15H,4-5H2,1H3
InChIKeyKYLWZDYTHCLQEZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis crassiuscula (ncbitaxon:290287) - PubMed (24498889)
ChEBI Ontology
Outgoing Relation(s)
4,6-dihydroxy-7-hydroxymethyl-3-methoxymethylcoumarin (CHEBI:202288) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4,6-dihydroxy-7-(hydroxymethyl)-3-(methoxymethyl)chromen-2-one
Manual XrefsDatabases
78435607ChemSpider