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CHEBI:188680 - Sergliflozin etabonate

ChEBI IDCHEBI:188680
ChEBI NameSergliflozin etabonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O9
Net Charge0
Average Mass448.468
Monoisotopic Mass448.17333
SMILESCCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1
InChIKeyQLXKHBNJTPICNF-QMCAAQAGSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Sergliflozin etabonate (CHEBI:188680) is a glycoside (CHEBI:24400)
IUPAC Name 
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
Manual XrefsDatabases
8000665ChemSpider
D06641KEGG DRUG
Registry NumbersSources
CAS:408504-26-7ChemIDplus