CHEBI:67977 - Chikusetsusaponin-IVa

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ChEBI Name Chikusetsusaponin-IVa
ChEBI ID CHEBI:67977
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 C42H66O14
Net Charge 0
Average Mass 794.96500
Monoisotopic Mass 794.44526
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey YOSRLTNUOCHBEA-SGVKAIFKSA-N
SMILES [H][C@@]1(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](O)[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 Chikusetsusaponin-IVa (CHEBI:67977) has role metabolite (CHEBI:25212)
Chikusetsusaponin-IVa (CHEBI:67977) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl ChEBI
Registry Number Type Source
51415-02-2 CAS Registry Number ChemIDplus
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:glucosiduronic acid(CHEBI:24302); ISA:disaccharide(CHEBI:36233); ISA:glycoside(CHEBI:24400); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:dicarboxylic acid(CHEBI:35692); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);