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CHEBI:67976 - Chikusetsusaponin-IV methyl ester

ChEBI IDCHEBI:67976
ChEBI NameChikusetsusaponin-IV methyl ester
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H76O18
Net Charge0
Average Mass941.118
Monoisotopic Mass940.50317
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@]2([H])O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChIKeyWJHDDPVZYYTSCO-ZXTQJPCGSA-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-IV methyl ester (CHEBI:67976) has role metabolite (CHEBI:25212)
Chikusetsusaponin-IV methyl ester (CHEBI:67976) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
1-O-[(3beta)-3-{[4-O-(alpha-L-Arabinofuranosyl)-6-methyl-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranoseChEBI
Citations