CHEBI:70432 - platyconic acid B lactone

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ChEBI Name platyconic acid B lactone
ChEBI ID CHEBI:70432
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 C63H98O33
Net Charge 0
Average Mass 1383.43240
Monoisotopic Mass 1382.59904
InChI InChI=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
InChIKey ZWMFBBNLGBKQQH-YNGPTOQBSA-N
SMILES [H][C@@]1(OC[C@H]2O[C@@]([H])(O[C@H]3[C@@H]4C[C@@]5(C)[C@@]([H])(CC[C@]6(C)[C@]5([H])CC=C5[C@]7([H])CC(C)(C)CC[C@@]7([C@H](O)C[C@@]65C)C(=O)O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])O[C@@H](C)[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O[C@]7([H])OC[C@](O)(CO)[C@H]7O)[C@H]6O)[C@@H](O)[C@H]5O)[C@]3(CO)C(=O)O4)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Platycodon grandiflorum (NCBI:txid94286) Found in root (BTO:0001188). Dried roots were extracted with MeOH by percolation 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 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-lactone ChEBI
Citation Waiting for Citations Type Source
20939516 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:oligosaccharide(CHEBI:50699); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:steroid(CHEBI:35341); ISA:terpene lactone(CHEBI:37668); ISA:glycoside(CHEBI:24400); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:dicarboxylic acid(CHEBI:35692); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);