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CHEBI:80799 - Bufotalin

ChEBI IDCHEBI:80799
ChEBI NameBufotalin
Stars
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)C[C@]34O)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1
InChIKeyVOZHMAYHYHEWBW-NVOOAVKYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bufotalin (CHEBI:80799) has functional parent bufanolide (CHEBI:22934)
Bufotalin (CHEBI:80799) is a steroid lactone (CHEBI:26766)
Manual XrefsDatabases
C16923KEGG COMPOUND
Registry NumbersSources
CAS:471-95-4KEGG COMPOUND