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CHEBI:9210 - Soyasaponin A1

ChEBI IDCHEBI:9210
ChEBI NameSoyasaponin A1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC59H96O29
Net Charge0
Average Mass1269.388
Monoisotopic Mass1268.60373
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[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@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+,55+,56-,57+,58+,59+/m0/s1
InChIKeyXFXHYKZIZSNVSQ-TZRAUYBZSA-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)
Soyasaponin A1 (CHEBI:9210) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Soyasaponin A1KEGG COMPOUND
Manual XrefsDatabases
C08982KEGG COMPOUND
C00003552KNApSAcK
Registry NumbersSources
CAS:78693-94-4KEGG COMPOUND