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CHEBI:80909 - Timosaponin A-I

Default Structure
ChEBI IDCHEBI:80909
ChEBI NameTimosaponin A-I
Stars
DownloadsMolfile
FormulaC33H54O8
Net Charge0
Average Mass578.787
Monoisotopic Mass578.38187
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CCC(C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17?,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1
InChIKeyZNEIIZNXGCIAAL-GEUMLUQESA-N
ChEBI Ontology
Outgoing Relation(s)
Timosaponin A-I (CHEBI:80909) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17074KEGG COMPOUND