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CHEBI:66790 - Pulsatilla saponin D

Default Structure
ChEBI IDCHEBI:66790
ChEBI NamePulsatilla saponin D
Stars
DefinitionA natural product found particularly in Pulsatilla chinensis and Pulsatilla cernua.
Last Modified22 September 2014
DownloadsMolfile
FormulaC47H76O17
Net Charge0
Average Mass913.108
Monoisotopic Mass912.50825
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@@]([H])(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CO[C@@]2([H])O[C@H]2CC[C@]3(C)[C@@]4([H])CC=C5[C@]6([H])CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@@]3([H])[C@]2(C)CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKeySOLICHUQXFAOEP-YDIXZRNLSA-N
Species of MetaboliteComponentSourceComments
Pulsatilla cernua (ncbitaxon:231674) - DOI (10.1248/cpb.26.1666)
Pulsatilla chinensis (ncbitaxon:714493) root (BTO:0001188) PubMed (10514313)
Pulsatilla koreana (ncbitaxon:387930) root (BTO:0001188) PubMed (15473660)
Roles Classification
Biological Role:
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)
Pulsatilla saponin D (CHEBI:66790) has role metabolite (CHEBI:25212)
Pulsatilla saponin D (CHEBI:66790) is a triterpenoid (CHEBI:36615)
Synonym  Source
Hederagenin 3-O-alpha-L-rhamnopyranosyl(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosideChEBI
Citations