CHEBI:66762 - Platycodon saponin 2

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ChEBI Name Platycodon saponin 2
ChEBI ID CHEBI:66762
Definition A natural product found in Platycodon grandiflorum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H68O17
Net Charge 0
Average Mass 844.97910
Monoisotopic Mass 844.44565
InChI InChI=1S/C42H68O17/c1-36(2)9-10-41-23(13-36)42(59-35(41)54)24(47)11-22-37(3)12-18(46)32(38(4,17-45)21(37)7-8-39(22,5)40(42,6)14-25(41)48)58-34-30(53)31(27(50)20(16-44)56-34)57-33-29(52)28(51)26(49)19(15-43)55-33/h18-34,43-53H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29+,30+,31-,32-,33-,34-,37-,38-,39+,40-,41+,42+/m0/s1
InChIKey HGUVKYCMNHIQMI-AFPFBKBNSA-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](CO)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C[C@H](O)[C@]35OC(=O)[C@@]6(CCC(C)(C)C[C@@]36[H])[C@H](O)C[C@@]45C)[C@]2(C)CO)[C@@H]1O
Metabolite of Species Details
Platycodon grandiflorum (NCBI:txid94286) Found in root (BTO:0001188). 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 Platycodon saponin 2 (CHEBI:66762) has role metabolite (CHEBI:25212)
Platycodon saponin 2 (CHEBI:66762) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
3-O-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-2beta,12alpha,16alpha,23alpha-tetrahydroxyoleanane-28(13)-lactone ChEBI
Citation Waiting for Citations Type Source
17851435 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid lactone(CHEBI:26766); ISA:12alpha-hydroxy steroid(CHEBI:36846); ISA:terpene lactone(CHEBI:37668); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);