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CHEBI:67974 - Taibaienoside I

ChEBI IDCHEBI:67974
ChEBI NameTaibaienoside I
Stars
DefinitionA natural product found in Panax japonicus var. major.
Last Modified22 September 2014
DownloadsMolfile
FormulaC51H82O18
Net Charge0
Average Mass983.199
Monoisotopic Mass982.55012
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)OCCCC)[C@@H](O[C@]2([H])O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C51H82O18/c1-9-10-21-63-41(61)40-39(67-42-36(58)33(55)28(24-53)64-42)35(57)38(60)44(68-40)66-31-14-15-48(6)29(47(31,4)5)13-16-50(8)30(48)12-11-25-26-22-46(2,3)17-19-51(26,20-18-49(25,50)7)45(62)69-43-37(59)34(56)32(54)27(23-52)65-43/h11,26-40,42-44,52-60H,9-10,12-24H2,1-8H3/t26-,27+,28-,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,42-,43-,44+,48-,49+,50+,51-/m0/s1
InChIKeyKHJOAMACTMVVSI-INNZOIJBSA-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)
Taibaienoside I (CHEBI:67974) has role metabolite (CHEBI:25212)
Taibaienoside I (CHEBI:67974) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
1-O-[(3beta)-3-{[4-O-(alpha-L-Arabinofuranosyl)-6-butyl-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranoseChEBI
Citations