EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80683 - Pumiloside

ChEBI IDCHEBI:80683
ChEBI NamePumiloside
Stars
DownloadsMolfile
FormulaC26H28N2O9
Net Charge0
Average Mass512.515
Monoisotopic Mass512.17948
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@]3([H])C=C)C(=O)N1Cc1c2nc2ccccc2c1=O
InChIInChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1
InChIKeyODQBQUXGRYBRTP-FWMZWJSFSA-N
ChEBI Ontology
Outgoing Relation(s)
Pumiloside (CHEBI:80683) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
C16723KEGG COMPOUND