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CHEBI:8037 - Pfaffoside A

ChEBI IDCHEBI:8037
ChEBI NamePfaffoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H60O13
Net Charge0
Average Mass748.907
Monoisotopic Mass748.40339
SMILES[H][C@]12C[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@]43C)[C@@H]3C[C@@]1(C)CC[C@@]32C(=O)O
InChIInChI=1S/C40H60O13/c1-35(2)21-9-12-38(5)22(8-7-18-19-15-36(3)13-14-40(19,34(48)49)23(36)16-39(18,38)6)37(21,4)11-10-24(35)51-33-30(27(44)26(43)29(52-33)31(46)47)53-32-28(45)25(42)20(41)17-50-32/h7,19-30,32-33,41-45H,8-17H2,1-6H3,(H,46,47)(H,48,49)/t19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29-,30+,32-,33+,36+,37-,38+,39+,40+/m0/s1
InChIKeyBXKCSGRUPJSGIF-NLBSSAROSA-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)
Pfaffoside A (CHEBI:8037) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Pfaffoside AKEGG COMPOUND
Manual XrefsDatabases
C08966KEGG COMPOUND
C00003540KNApSAcK
Registry NumbersSources
CAS:90745-17-8KEGG COMPOUND