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CHEBI:70432 - platyconic acid B lactone

ChEBI IDCHEBI:70432
ChEBI Nameplatyconic acid B lactone
Stars
DefinitionA natural product found in Platycodon grandiflorum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC63H98O33
Net Charge0
Average Mass1383.444
Monoisotopic Mass1382.59904
SMILES[H][C@@]1(O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@@H]7OC(=O)[C@@](CO)([C@H]7O[C@]7([H])O[C@H](CO[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]6([H])CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[C@H](O[C@]2([H])OC[C@@H](O)[C@H](O[C@]3([H])OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C63H98O33/c1-23-44(92-50-43(79)45(27(68)18-84-50)93-54-47(80)61(83,20-65)22-87-54)39(75)42(78)51(88-23)94-46-34(70)26(67)17-85-53(46)96-55(81)62-12-11-57(2,3)13-25(62)24-7-8-31-58(4)14-28-48(63(21-66,56(82)91-28)32(58)9-10-59(31,5)60(24,6)15-33(62)69)95-52-41(77)38(74)36(72)30(90-52)19-86-49-40(76)37(73)35(71)29(16-64)89-49/h7,23,25-54,64-80,83H,8-22H2,1-6H3/t23-,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-,52-,53-,54-,58+,59+,60+,61+,62+,63+/m0/s1
InChIKeyZWMFBBNLGBKQQH-YNGPTOQBSA-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)
platyconic acid B lactone (CHEBI:70432) has role metabolite (CHEBI:25212)
platyconic acid B lactone (CHEBI:70432) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
platycogenic acid A 3-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]-28-O-[alpha-L-apiofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinoside]-gamma-lactoneChEBI
Citations