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CHEBI:70434 - deapio-platycodin D2

ChEBI IDCHEBI:70434
ChEBI Namedeapio-platycodin D2
Stars
DefinitionA natural product found in Platycodon grandiflorum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC58H94O29
Net Charge0
Average Mass1255.361
Monoisotopic Mass1254.58808
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])CC=C6[C@]7([H])CC(C)(C)CC[C@]7(C(=O)O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@@H](C)[C@]([H])(O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(CO)CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C58H94O29/c1-22-43(83-47-39(73)33(67)26(64)18-78-47)38(72)41(75)48(80-22)85-45-34(68)27(65)19-79-51(45)87-52(77)58-12-11-53(2,3)13-24(58)23-7-8-30-54(4)14-25(63)46(57(20-61,21-62)31(54)9-10-55(30,5)56(23,6)15-32(58)66)86-50-42(76)44(36(70)29(17-60)82-50)84-49-40(74)37(71)35(69)28(16-59)81-49/h7,22,24-51,59-76H,8-21H2,1-6H3/t22-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51-,54+,55+,56+,58+/m0/s1
InChIKeyWHADRFMYRLBVAJ-BCXQWGEVSA-N
Species of MetaboliteComponentSourceComments
Platycodon grandiflorum (ncbitaxon:94286) root (BTO:0001188) PubMed (20939516) Dried roots were extracted with MeOH by percolation
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)
deapio-platycodin D2 (CHEBI:70434) has role metabolite (CHEBI:25212)
deapio-platycodin D2 (CHEBI:70434) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
3-O-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl]-28-O-[beta-D-xylopyranosyl-(1->4)-R-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside]ChEBI
Citations