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CHEBI:8254 - Pittoside A

ChEBI IDCHEBI:8254
ChEBI NamePittoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H68O13
Net Charge0
Average Mass768.982
Monoisotopic Mass768.46599
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)[C@@H](O)[C@H](O)[C@]4(CO)C[C@H](O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C41H68O13/c1-19-31(54-34-29(47)27(45)22(43)17-51-34)28(46)30(48)35(52-19)53-26-12-13-38(6)23(37(26,4)5)11-14-39(7)24(38)10-9-20-21-15-36(2,3)32(49)33(50)41(21,18-42)16-25(44)40(20,39)8/h9,19,21-35,42-50H,10-18H2,1-8H3/t19-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,38-,39+,40-,41-/m0/s1
InChIKeyXDUHPWUVLBIBFS-GLVVCSOHSA-N
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)
Pittoside A (CHEBI:8254) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Pittoside AKEGG COMPOUND
Manual XrefsDatabases
C08969KEGG COMPOUND
C00003543KNApSAcK
Registry NumbersSources
CAS:75303-44-5KEGG COMPOUND