CHEBI:80799 - Bufotalin

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ChEBI Name Bufotalin
ChEBI ID CHEBI:80799
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H36O6
Net Charge 0
Average Mass 444.56040
Monoisotopic Mass 444.25119
InChI InChI=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
InChIKey VOZHMAYHYHEWBW-NVOOAVKYSA-N
SMILES CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1
ChEBI Ontology
Outgoing Bufotalin (CHEBI:80799) has functional parent bufanolide (CHEBI:22934)
Bufotalin (CHEBI:80799) is a steroid lactone (CHEBI:26766)
Manual Xref Database
C16923 KEGG COMPOUND
View more database links
Registry Number Type Source
471-95-4 CAS Registry Number KEGG COMPOUND