EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:4037 - Cymarin
| Formula | C30H44O9 |
| Net Charge | 0 |
| Average Mass | 548.673 |
| Monoisotopic Mass | 548.29853 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](OC)[C@H](O)[C@@H](C)O3)CC[C@@]12C=O |
| InChI | InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1 |
| InChIKey | XQCGNURMLWFQJR-ZNDDOCHDSA-N |
| Roles Classification |
|---|
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cymarin (CHEBI:4037) is a cardenolide glycoside (CHEBI:38092) |
| Synonyms | Source |
|---|---|
| Cymarin | KEGG COMPOUND |
| Strophanthidin 3-O-beta-D-cymaroside | KEGG COMPOUND |