CHEBI:69310 - Operculinoside B

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ChEBI Name Operculinoside B
ChEBI ID CHEBI:69310
Definition A natural product found in Operculina turpethum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C49H84O19
Net Charge 0
Average Mass 977.17990
Monoisotopic Mass 976.56068
InChI InChI=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
InChIKey OISDMADOIFBDNZ-XIWGVEJXSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@]([H])([C@H](O)C[C@@]32C)[C@]2(C)CC[C@](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(O2)C(C)C)C1(C)C
Metabolite of Species Details
Operculina turpethum (NCBI:txid197426) Found in aerial part (BTO:0001658). 95% EtOH extract of powdered and dry aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-glucopyranoside ChEBI
Citation Waiting for Citations Type Source
21866900 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); HP:dammarane(CHEBI:36488); ISA:steroid saponin(CHEBI:61655); ISA:oligosaccharide(CHEBI:50699); ISA:16alpha-hydroxy steroid(CHEBI:16799); ISA:glycoside(CHEBI:24400); ISA:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734);