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CHEBI:67888 - Timosaponin A-III

Default Structure
ChEBI IDCHEBI:67888
ChEBI NameTimosaponin A-III
Stars
DefinitionA natural product found in Anemarrhena asphodeloides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H64O13
Net Charge0
Average Mass740.928
Monoisotopic Mass740.43469
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@@]1([H])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1
InChIKeyMMTWXUQMLQGAPC-YXOKLLKRSA-N
Species of MetaboliteComponentSourceComments
Anemarrhena asphodeloides (ncbitaxon:59045) rhizome (BTO:0001181) PubMed (21370894) Methanolic extract of rhizomes
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Timosaponin A-III (CHEBI:67888) has role metabolite (CHEBI:25212)
Timosaponin A-III (CHEBI:67888) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17075KEGG COMPOUND
Citations