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CHEBI:9228 - Spinasaponin A

ChEBI IDCHEBI:9228
ChEBI NameSpinasaponin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H66O14
Net Charge0
Average Mass794.976
Monoisotopic Mass794.44526
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKeyBQPYEFAVIPEQIK-CGCSGISQSA-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)
Spinasaponin A (CHEBI:9228) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Spinasaponin AKEGG COMPOUND
Manual XrefsDatabases
C08984KEGG COMPOUND
C00003554KNApSAcK
Registry NumbersSources
CAS:25406-56-8KEGG COMPOUND