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CHEBI:135018 - metesculetol

Default Structure
ChEBI IDCHEBI:135018
ChEBI Namemetesculetol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC12H10O6
Net Charge0
Average Mass250.206
Monoisotopic Mass250.04774
SMILESCc1cc(=O)oc2cc(O)c(OCC(=O)O)cc12
InChIInChI=1S/C12H10O6/c1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyVVDLFTOOMLZFRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
metesculetol (CHEBI:135018) is a hydroxycoumarin (CHEBI:37912)
Synonym  Source
metesculetol sodiumDrugCentral
Manual XrefsDatabases
1724DrugCentral
Registry NumbersSources
CAS:52814-39-8DrugCentral