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CHEBI:4397 - Demethylisoalangiside

ChEBI IDCHEBI:4397
ChEBI NameDemethylisoalangiside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H29NO10
Net Charge0
Average Mass491.493
Monoisotopic Mass491.17915
SMILES[H][C@@]12C[C@]3([H])C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3C=C)C(=O)N1CCc1cc(O)c(O)cc12
InChIInChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15+,18-,19-,20+,21-,23+,24+/m1/s1
InChIKeyODZVWJRTEQQVCO-ICBTVIENSA-N
ChEBI Ontology
Outgoing Relation(s)
Demethylisoalangiside (CHEBI:4397) is a glycoside (CHEBI:24400)
Synonym  Source
DemethylisoalangisideKEGG COMPOUND
Manual XrefsDatabases
C11814KEGG COMPOUND