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CHEBI:177541 - remogliflozin etabonate

Default Structure
ChEBI IDCHEBI:177541
ChEBI Nameremogliflozin etabonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38N2O9
Net Charge0
Average Mass522.595
Monoisotopic Mass522.25773
SMILESCCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
InChIKeyUAOCLDQAQNNEAX-ABMICEGHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
remogliflozin etabonate (CHEBI:177541) is a glycoside (CHEBI:24400)
IUPAC Name 
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
Manual XrefsDatabases
8047110ChemSpider
D10055KEGG DRUG
DB12935DrugBank
Registry NumbersSources
CAS:442201-24-3ChemIDplus