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CHEBI:17989 - daphnin

ChEBI IDCHEBI:17989
ChEBI Namedaphnin
Stars
Secondary ChEBI IDsCHEBI:4322, CHEBI:14096, CHEBI:23561
Last Modified13 November 2017
DownloadsMolfile
FormulaC15H16O9
Net Charge0
Average Mass340.284
Monoisotopic Mass340.07943
SMILESO=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2o1
InChIInChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
InChIKeyHOIXTKAYCMNVMY-PVOAASPHSA-N
ChEBI Ontology
Outgoing Relation(s)
daphnin (CHEBI:17989) has functional parent 7,8-dihydroxycoumarin (CHEBI:17313)
daphnin (CHEBI:17989) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
7-(β-D-glucopyranosyloxy)-8-hydroxy-2H-chromen-2-one
Synonyms  Source
DaphninKEGG COMPOUND
7-beta-D-glucopyranosyloxy-8-hydroxy-2H-1-benzopyran-2-oneChEBI
7-(β-D-glucopyranosyloxy)-8-hydroxycoumarinIUPAC
8-hydroxy-2-oxo-2H-chromen-7-yl β-D-glucopyranosideChEBI
UniProt Name  Source
daphninUniProt
Manual XrefsDatabases
C01421KEGG COMPOUND
C01421KEGG COMPOUND
Registry NumbersSources
CAS:486-55-5KEGG COMPOUND