CHEBI:70433 - deapio-platyconic acid B lactone

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ChEBI Name deapio-platyconic acid B lactone
ChEBI ID CHEBI:70433
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 C58H90O29
Net Charge 0
Average Mass 1251.31780
Monoisotopic Mass 1250.55678
InChI InChI=1S/C58H90O29/c1-21-43(84-47-39(71)32(64)24(61)17-77-47)38(70)42(74)48(80-21)85-44-33(65)25(62)18-78-50(44)87-51(75)57-12-11-53(2,3)13-23(57)22-7-8-29-54(4)14-26-45(58(20-60,52(76)83-26)30(54)9-10-55(29,5)56(22,6)15-31(57)63)86-49-41(73)37(69)35(67)28(82-49)19-79-46-40(72)36(68)34(66)27(16-59)81-46/h7,21,23-50,59-74H,8-20H2,1-6H3/t21-,23-,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-,54+,55+,56+,57+,58+/m0/s1
InChIKey AEPOICLPQIZZPB-PHOUOENISA-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@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 deapio-platyconic acid B lactone (CHEBI:70433) has role metabolite (CHEBI:25212)
deapio-platyconic acid B lactone (CHEBI:70433) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
platycogenic acid A 3-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]-28-O-[beta-Dxylopyranosyl-(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:steroid(CHEBI:35341); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:terpene lactone(CHEBI:37668); ISA:glycoside(CHEBI:24400); ISA:oxacycle(CHEBI:38104); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);