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CHEBI:2961 - Azukisaponin III

ChEBI IDCHEBI:2961
ChEBI NameAzukisaponin III
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H66O15
Net Charge0
Average Mass810.975
Monoisotopic Mass810.44017
SMILES[H][C@]12CC=C3[C@]4([H])C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1
InChIKeyFXYSHYMHTAACSV-FTHMGGAWSA-N
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)
Azukisaponin III (CHEBI:2961) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Azukisaponin IIIKEGG COMPOUND
Manual XrefsDatabases
C08930KEGG COMPOUND
C00003504KNApSAcK
Registry NumbersSources
CAS:82801-38-5KEGG COMPOUND