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CHEBI:5579 - Gypenoside XXV

ChEBI IDCHEBI:5579
ChEBI NameGypenoside XXV
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC47H78O18
Net Charge0
Average Mass931.123
Monoisotopic Mass930.51882
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@@](O)(CCC=C(C)C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C=O
InChIInChI=1S/C47H78O18/c1-23(2)8-7-14-47(59,22-61-40-37(57)35(55)33(53)27(18-48)62-40)25-11-15-44(5)24(25)9-10-30-45(44,6)16-12-29-43(3,4)31(13-17-46(29,30)21-50)64-42-39(32(52)26(51)20-60-42)65-41-38(58)36(56)34(54)28(19-49)63-41/h8,21,24-42,48-49,51-59H,7,9-20,22H2,1-6H3/t24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,44-,45-,46-,47-/m1/s1
InChIKeyKHPWSKNLAFECBO-NSMVKXLTSA-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)
Gypenoside XXV (CHEBI:5579) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Gypenoside XXVKEGG COMPOUND
Manual XrefsDatabases
C08949KEGG COMPOUND
C00003524KNApSAcK
Registry NumbersSources
CAS:81474-84-2KEGG COMPOUND