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CHEBI:69310 - Operculinoside B

ChEBI IDCHEBI:69310
ChEBI NameOperculinoside B
Stars
DefinitionA natural product found in Operculina turpethum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC49H84O19
Net Charge0
Average Mass977.192
Monoisotopic Mass976.56068
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2([H])O[C@H]2CC[C@]3(C)[C@@]4([H])CC[C@@]5([H])[C@@](C)(C[C@@H](O)[C@]5([H])[C@]5(C)CC[C@@](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(C(C)C)O5)[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/C49H84O19/c1-22(2)49(21-62-41-38(60)35(57)32(54)25(18-50)63-41)16-15-48(8,68-49)31-23-9-10-29-45(5)13-12-30(44(3,4)28(45)11-14-46(29,6)47(23,7)17-24(31)53)66-43-40(37(59)34(56)27(20-52)65-43)67-42-39(61)36(58)33(55)26(19-51)64-42/h22-43,50-61H,9-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,45+,46-,47-,48+,49-/m1/s1
InChIKeyOISDMADOIFBDNZ-XIWGVEJXSA-N
Species of MetaboliteComponentSourceComments
Operculina turpethum (ncbitaxon:197426) aerial part (BTO:0001658) PubMed (21866900) 95% EtOH extract of powdered and dry aerial parts
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)
Operculinoside B (CHEBI:69310) has role metabolite (CHEBI:25212)
Operculinoside B (CHEBI:69310) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
(20S,24S)-20,24-epoxy-24-beta-D-glucopyranosyloxymethyl-3beta,16R-dihydroxydammarane3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosideChEBI
Citations