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CHEBI:34668 - Dehydrosoyasaponin I

Default Structure
ChEBI IDCHEBI:34668
ChEBI NameDehydrosoyasaponin I
Stars
Last Modified19 February 2018
DownloadsMolfile
FormulaC48H76O18
Net Charge0
Average Mass941.118
Monoisotopic Mass940.50317
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC(=O)[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](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKeyCROUPKILZUPLQA-ITVSDQETSA-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)
Dehydrosoyasaponin I (CHEBI:34668) is a triterpenoid saponin (CHEBI:61778)
Synonyms  Source
Dehydrosoyasaponin IKEGG COMPOUND
DHS-IKEGG COMPOUND
Manual XrefsDatabases
C00030105KNApSAcK
C13837KEGG COMPOUND
Registry NumbersSources
CAS:117210-14-7KEGG COMPOUND