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CHEBI:80806 - Cinobufotalin

ChEBI IDCHEBI:80806
ChEBI NameCinobufotalin
Stars
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESCC(=O)O[C@H]1[C@H]2O[C@]23C2CC[C@]4(O)C[C@@H](O)CC[C@]4(C)C2CC[C@]3(C)[C@H]1c1ccc(=O)oc1
InChIInChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17?,18?,20-,21+,22+,23+,24+,25-,26+/m0/s1
InChIKeyKBKUJJFDSHBPPA-JTZFMNKUSA-N
ChEBI Ontology
Outgoing Relation(s)
Cinobufotalin (CHEBI:80806) has functional parent bufanolide (CHEBI:22934)
Cinobufotalin (CHEBI:80806) is a steroid lactone (CHEBI:26766)
Manual XrefsDatabases
C16932KEGG COMPOUND
Registry NumbersSources
CAS:1108-68-5KEGG COMPOUND