CHEBI:67888 - Timosaponin A-III

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ChEBI Name Timosaponin A-III
ChEBI ID CHEBI:67888
Definition A natural product found in Anemarrhena asphodeloides.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H64O13
Net Charge 0
Average Mass 740.91770
Monoisotopic Mass 740.43469
InChI InChI=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
InChIKey MMTWXUQMLQGAPC-YXOKLLKRSA-N
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](C2)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
Metabolite of Species Details
Anemarrhena asphodeloides (NCBI:txid59045) Found in rhizome (BTO:0001181). Methanolic extract of rhizomes See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing Timosaponin A-III (CHEBI:67888) has role metabolite (CHEBI:25212)
Timosaponin A-III (CHEBI:67888) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17075 KEGG COMPOUND
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Citation Waiting for Citations Type Source
21370894 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxaspiro compound(CHEBI:37948); ISA:steroid(CHEBI:35341); ISA:steroid saponin(CHEBI:61655); ISA:oligosaccharide(CHEBI:50699); ISA:glycoside(CHEBI:24400); ISA:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734);