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CHEBI:70443 - polygalacin D2

ChEBI IDCHEBI:70443
ChEBI Namepolygalacin D2
Stars
DefinitionA natural product found in Platycodon grandiflorum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC63H102O32
Net Charge0
Average Mass1371.477
Monoisotopic Mass1370.63542
SMILES[H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@@H](O)C[C@]4(C)[C@@]5([H])CC=C6[C@]7([H])CC(C)(C)CC[C@]7(C(=O)O[C@@H]7OC[C@H](O)[C@H](O)[C@@]7([H])O[C@@H]7O[C@@H](C)[C@]([H])(O[C@@H]8OC[C@@H](O)[C@]([H])(O[C@@H]9OC[C@](O)(CO)[C@H]9O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@@]4([H])[C@@]3(C)CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C63H102O32/c1-24-44(90-50-42(79)45(29(70)20-84-50)91-55-48(81)62(83,22-67)23-86-55)39(76)41(78)51(87-24)93-47-35(72)28(69)19-85-54(47)95-56(82)63-13-12-57(2,3)14-26(63)25-8-9-33-58(4)15-27(68)49(59(5,21-66)32(58)10-11-60(33,6)61(25,7)16-34(63)71)94-53-43(80)46(37(74)31(18-65)89-53)92-52-40(77)38(75)36(73)30(17-64)88-52/h8,24,26-55,64-81,83H,9-23H2,1-7H3/t24-,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-,58-,59+,60+,61+,62+,63+/m0/s1
InChIKeyDSHSDWSTXKYPEQ-UDVDIBAVSA-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 D2 (CHEBI:70443) has role metabolite (CHEBI:25212)
polygalacin D2 (CHEBI:70443) is a triterpenoid saponin (CHEBI:61778)
Citations