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CHEBI:66762 - Platycodon saponin 2

ChEBI IDCHEBI:66762
ChEBI NamePlatycodon saponin 2
Stars
DefinitionA natural product found in Platycodon grandiflorum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H68O17
Net Charge0
Average Mass844.989
Monoisotopic Mass844.44565
SMILES[H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@@H](O)C[C@]4(C)[C@@]5([H])C[C@H](O)[C@]67OC(=O)[C@@]8(CCC(C)(C)C[C@@]68[H])[C@H](O)C[C@@]7(C)[C@]5(C)CC[C@@]4([H])[C@]3(C)CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyHGUVKYCMNHIQMI-AFPFBKBNSA-N
Species of MetaboliteComponentSourceComments
Platycodon grandiflorum (ncbitaxon:94286) root (BTO:0001188) PubMed (17851435)
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)
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)-lactoneChEBI
Citations