CHEBI:70450 - deapioplatycoside E

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ChEBI Name deapioplatycoside E
ChEBI ID CHEBI:70450
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 C64H104O34
Net Charge 0
Average Mass 1417.49020
Monoisotopic Mass 1416.64090
InChI InChI=1S/C64H104O34/c1-23-49(95-54-44(81)35(72)27(69)17-87-54)43(80)48(85)55(91-23)96-50-36(73)28(70)18-88-57(50)98-58(86)64-12-11-59(2,3)13-25(64)24-7-8-32-60(4)14-26(68)51(63(21-66,22-67)33(60)9-10-61(32,5)62(24,6)15-34(64)71)97-56-47(84)42(79)39(76)31(94-56)20-90-53-46(83)41(78)38(75)30(93-53)19-89-52-45(82)40(77)37(74)29(16-65)92-52/h7,23,25-57,65-85H,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-,55-,56-,57-,60+,61+,62+,64+/m0/s1
InChIKey UTBMWMLXRNXHHQ-ONYRRNLVSA-N
SMILES [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
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 deapioplatycoside E (CHEBI:70450) has role metabolite (CHEBI:25212)
deapioplatycoside E (CHEBI:70450) is a triterpenoid saponin (CHEBI:61778)
Manual Xref Database
28282839 ChemSpider
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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:12alpha-hydroxy steroid(CHEBI:36846); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:glycoside(CHEBI:24400); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); 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:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);