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CHEBI:67981 - Chikusetsusaponin-V

Default Structure
ChEBI IDCHEBI:67981
ChEBI NameChikusetsusaponin-V
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H76O19
Net Charge0
Average Mass957.117
Monoisotopic Mass956.49808
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@]2([H])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](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
InChIKeyNFZYDZXHKFHPGA-QQHDHSITSA-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-V (CHEBI:67981) has role metabolite (CHEBI:25212)
Chikusetsusaponin-V (CHEBI:67981) is a triterpenoid saponin (CHEBI:61778)
Synonyms  Source
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-ChEBI
Ginsenoside RoChEBI
Ginsenoside RoKEGG COMPOUND
Manual XrefsDatabases
C17543KEGG COMPOUND
Registry NumbersSources
CAS:34367-04-9ChemIDplus
CAS:34367-04-9KEGG COMPOUND
Citations