CHEBI:69311 - Operculinoside C

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ChEBI Name Operculinoside C
ChEBI ID CHEBI:69311
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 C42H72O14
Net Charge 0
Average Mass 801.01270
Monoisotopic Mass 800.49221
InChI InChI=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
InChIKey JVYPBKOZNREJQJ-QKNOUBBRSA-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@H](O2)C(C)(C)O)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 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-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:tertiary alcohol(CHEBI:26878); 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);