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CHEBI:67980 - Stipuleanoside R2

ChEBI IDCHEBI:67980
ChEBI NameStipuleanoside R2
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC53H84O23
Net Charge0
Average Mass1089.232
Monoisotopic Mass1088.54034
SMILES[H][C@@]1(O[C@H]2[C@H](O[C@]3([H])O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](C(=O)O)O[C@@]([H])(O[C@H]3CC[C@]4(C)[C@@]5([H])CC=C6[C@]7([H])CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)31(58)25(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-38(65)39(73-44-36(63)33(60)30(57)24(19-54)69-44)40(41(75-46)42(66)67)74-43-35(62)32(59)26(21-56)70-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
InChIKeyZVGISQJHCGILNM-CGGDTZFRSA-N
Species of MetaboliteComponentSourceComments
Panax japonicus var. major (ncbitaxon:45211) root (BTO:0001188) PubMed (21417387) Ethanolic extract of dried and pulverized roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Stipuleanoside R2 (CHEBI:67980) has role metabolite (CHEBI:25212)
Stipuleanoside R2 (CHEBI:67980) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
1-O-[(3beta)-3-{[beta-L-Arabinofuranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranoseChEBI
Citations