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CHEBI:67973 - Pseudoginsenoside RT1 butyl ester

ChEBI IDCHEBI:67973
ChEBI NamePseudoginsenoside RT1 butyl ester
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]2[C@@H](O)[C@H](O)[C@@H](C(=O)OCCCC)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)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C51H82O18/c1-9-10-21-63-41(61)39-35(57)36(58)40(68-42-37(59)32(54)27(53)24-64-42)44(67-39)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)69-43-38(60)34(56)33(55)28(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
InChIKeyPWLRHGZJMJUWAB-ZEIJXSQXSA-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)
Pseudoginsenoside RT1 butyl ester (CHEBI:67973) has role metabolite (CHEBI:25212)
Pseudoginsenoside RT1 butyl ester (CHEBI:67973) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
oleanolic acid 3-O-[beta-D-xylopyranosyl-(1->2)-beta-D-glucuronopyranoside-6-O-butylester]-28-O-beta-D-glucopyranosideChEBI
Citations