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CHEBI:70440 - polygalacin D

ChEBI IDCHEBI:70440
ChEBI Namepolygalacin D
Stars
DefinitionA natural product found in Platycodon grandiflorum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC57H92O27
Net Charge0
Average Mass1209.336
Monoisotopic Mass1208.58260
SMILES[H][C@@]1(O[C@H]2[C@@H](O)C[C@]3(C)[C@@]4([H])CC=C5[C@]6([H])CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@H](O)[C@H](O)[C@@]6([H])O[C@@H]6O[C@@H](C)[C@]([H])(O[C@@H]7OC[C@@H](O)[C@]([H])(O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@@]3([H])[C@@]2(C)CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C57H92O27/c1-23-40(80-45-39(71)41(28(63)19-75-45)81-49-43(72)56(74,21-60)22-77-49)36(68)38(70)46(78-23)82-42-33(65)27(62)18-76-48(42)84-50(73)57-13-12-51(2,3)14-25(57)24-8-9-31-52(4)15-26(61)44(83-47-37(69)35(67)34(66)29(17-58)79-47)53(5,20-59)30(52)10-11-54(31,6)55(24,7)16-32(57)64/h8,23,25-49,58-72,74H,9-22H2,1-7H3/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-,52-,53+,54+,55+,56+,57+/m0/s1
InChIKeyBDCUGHMNUOTFKX-DDRWPPTGSA-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)
polygalacin D (CHEBI:70440) has role metabolite (CHEBI:25212)
polygalacin D (CHEBI:70440) is a triterpenoid saponin (CHEBI:61778)
Manual XrefsDatabases
C17441KEGG COMPOUND
Citations