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CHEBI:3555 - Cerbertin
| Formula | C32H44O11 |
| Net Charge | 0 |
| Average Mass | 604.693 |
| Monoisotopic Mass | 604.28836 |
| SMILES | [H][C@]12CC[C@@]3([H])[C@@]4(O)CC[C@]([H])(C5=CC(=O)OC5)[C@@]4(C)[C@@]4([H])O[C@@]4([H])[C@]3([H])[C@@]1(C=O)CC[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC(C)=O)C2 |
| InChI | InChI=1S/C32H44O11/c1-15-24(36)26(38-4)27(41-16(2)34)29(40-15)42-19-7-9-31(14-33)18(12-19)5-6-21-23(31)25-28(43-25)30(3)20(8-10-32(21,30)37)17-11-22(35)39-13-17/h11,14-15,18-21,23-29,36-37H,5-10,12-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-/m0/s1 |
| InChIKey | NIVUJUXAQJVVHT-SXAYMNBUSA-N |
| Roles Classification |
|---|
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cerbertin (CHEBI:3555) is a cardenolide glycoside (CHEBI:38092) |
| Synonym | Source |
|---|---|
| Cerbertin | KEGG COMPOUND |