CHEBI:67980 - Stipuleanoside R2

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ChEBI Name Stipuleanoside R2
ChEBI ID CHEBI:67980
Definition A natural product found in Panax japonicus var. major.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C53H84O23
Net Charge 0
Average Mass 1089.22030
Monoisotopic Mass 1088.54034
InChI InChI=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
InChIKey ZVGISQJHCGILNM-CGGDTZFRSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)O[C@@H]([C@H]1O[C@]1([H])O[C@@H](CO)[C@H](O)[C@H]1O)C(O)=O
Metabolite of Species Details
Panax japonicus var. major (NCBI:txid45211) Found in root (BTO:0001188). Ethanolic extract of dried and pulverized roots See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-glucopyranose ChEBI
Citation Waiting for Citations Type Source
21417387 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:oligosaccharide(CHEBI:50699); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:glucosiduronic acid(CHEBI:24302); ISA:glycoside(CHEBI:24400); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);