CHEBI:80805 - Cinobufagin

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ChEBI Name Cinobufagin
ChEBI ID CHEBI:80805
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34O6
Net Charge 0
Average Mass 442.54460
Monoisotopic Mass 442.23554
InChI InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1
InChIKey SCULJPGYOQQXTK-OLRINKBESA-N
SMILES CC(=O)O[C@H]1[C@H]2O[C@]22[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 Cinobufagin (CHEBI:80805) has functional parent bufanolide (CHEBI:22934)
Cinobufagin (CHEBI:80805) is a steroid lactone (CHEBI:26766)
Manual Xref Database
C16931 KEGG COMPOUND
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Registry Number Type Source
470-37-1 CAS Registry Number KEGG COMPOUND