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CHEBI:69311 - Operculinoside C

ChEBI IDCHEBI:69311
ChEBI NameOperculinoside C
Stars
DefinitionA natural product found in Operculina turpethum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H72O14
Net Charge0
Average Mass801.024
Monoisotopic Mass800.49221
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@@H](C(C)(C)O)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/C42H72O14/c1-37(2)24-11-15-40(6)25(10-9-20-28(21(45)17-41(20,40)7)42(8)16-13-27(56-42)38(3,4)51)39(24,5)14-12-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41-,42+/m1/s1
InChIKeyJVYPBKOZNREJQJ-QKNOUBBRSA-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 C (CHEBI:69311) has role metabolite (CHEBI:25212)
Operculinoside C (CHEBI:69311) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
(20S,24S)-20,24-epoxy-3beta,16R,25-trihydroxydammarane 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosideChEBI
Citations