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CHEBI:80851 - Pavoninin 1

ChEBI IDCHEBI:80851
ChEBI NamePavoninin 1
Stars
DownloadsMolfile
FormulaC37H59NO9
Net Charge0
Average Mass661.877
Monoisotopic Mass661.41898
SMILES[H][C@]12CC[C@]([H])([C@H](C)CCC[C@@H](C)COC(C)=O)[C@@]1(C)CC[C@]1([H])[C@]2([H])[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)CC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1
InChIKeyBRNQQEJYQPMDNG-KKNRGALGSA-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)
Pavoninin 1 (CHEBI:80851) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
C16998KEGG COMPOUND
Registry NumbersSources
CAS:94426-01-4KEGG COMPOUND