CHEBI:67978 - Chikusetsusaponin-IVa methyl ester

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ChEBI Name Chikusetsusaponin-IVa methyl ester
ChEBI ID CHEBI:67978
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 C43H68O14
Net Charge 0
Average Mass 808.99160
Monoisotopic Mass 808.46091
InChI InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32+,33-,35-,36+,40-,41+,42+,43-/m0/s1
InChIKey XPORLJWHBRUXGD-HWIUFREPSA-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)OC
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 )
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ChEBI Ontology
Outgoing Chikusetsusaponin-IVa methyl ester (CHEBI:67978) has role metabolite (CHEBI:25212)
Chikusetsusaponin-IVa methyl ester (CHEBI:67978) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
3-O-(Methyl-beta-D-glucuronopyranosiduronoate)-28-O-beta-D-glucopyranosyl oleanolate 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: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:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);