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CHEBI:169635 - Desglucocheirotoxin
| Formula | C29H42O10 |
| Net Charge | 0 |
| Average Mass | 550.645 |
| Monoisotopic Mass | 550.27780 |
| SMILES | CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O |
| InChI | InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3 |
| InChIKey | HULMNSIAKWANQO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Desglucocheirotoxin (CHEBI:169635) is a cardenolide glycoside (CHEBI:38092) |
| IUPAC Name |
|---|
| 5,14-dihydroxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 2759 | ChemSpider |
| HMDB0034362 | HMDB |