CHEBI:66761 - Platycodon saponin 1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Platycodon saponin 1
ChEBI ID CHEBI:66761
Definition A natural product found in Platycodon grandiflorum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H58O13
Net Charge 0
Average Mass 698.83790
Monoisotopic Mass 698.38774
InChI InChI=1S/C36H58O13/c1-30(2)8-9-35-21(12-30)36(49-29(35)46)22(41)10-20-31(3)11-17(40)27(48-28-26(45)25(44)24(43)18(14-37)47-28)34(15-38,16-39)19(31)6-7-32(20,4)33(36,5)13-23(35)42/h17-28,37-45H,6-16H2,1-5H3/t17-,18+,19+,20+,21+,22-,23+,24+,25-,26+,27-,28-,31-,32+,33-,35+,36+/m0/s1
InChIKey GOFIZNVEASPUFU-NFBWNAECSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@]25[H])[C@H](O)C[C@@]34C)C1(CO)CO
Metabolite of Species Details
Platycodon grandiflorum (NCBI:txid94286) Found in root (BTO:0001188). 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 Platycodon saponin 1 (CHEBI:66761) has role metabolite (CHEBI:25212)
Platycodon saponin 1 (CHEBI:66761) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
3-O-beta-D-glucopyranosyl-2beta,12alpha,16alpha,23,24-pentahydroxyoleanane-28(13)-lactone ChEBI
Citation Waiting for Citations Type Source
17851435 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid lactone(CHEBI:26766); ISA:12alpha-hydroxy steroid(CHEBI:36846); ISA:terpene lactone(CHEBI:37668); ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);