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CHEBI:67978 - Chikusetsusaponin-IVa methyl ester

ChEBI IDCHEBI:67978
ChEBI NameChikusetsusaponin-IVa methyl ester
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H68O14
Net Charge0
Average Mass809.003
Monoisotopic Mass808.46091
SMILES[H][C@@]1(O[C@H]2CC[C@]3(C)[C@@]4([H])CC=C5[C@]6([H])CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@@]3([H])C2(C)C)O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyXPORLJWHBRUXGD-HWIUFREPSA-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)
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 oleanolateChEBI
Citations