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CHEBI:75049 - cerberin
| Formula | C32H48O9 |
| Net Charge | 0 |
| Average Mass | 576.727 |
| Monoisotopic Mass | 576.32983 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)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/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1 |
| InChIKey | UYQMTWMXBKEHJQ-IVHDSYOHSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cerberin (CHEBI:75049) has functional parent neriifolin (CHEBI:7522) |
| cerberin (CHEBI:75049) has role antineoplastic agent (CHEBI:35610) |
| cerberin (CHEBI:75049) has role metabolite (CHEBI:25212) |
| cerberin (CHEBI:75049) is a acetate ester (CHEBI:47622) |
| cerberin (CHEBI:75049) is a cardenolide glycoside (CHEBI:38092) |
| cerberin (CHEBI:75049) is a monosaccharide derivative (CHEBI:63367) |
| IUPAC Name |
|---|
| (3β,5β)-3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide |
| Synonyms | Source |
|---|---|
| 2'-Acetylneriifolin | KEGG COMPOUND |
| 3β-O-(L-2'-O-acetylthevetosyl)-14β-hydroxy-5β-card-20(22)-enolide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:101650 | Reaxys |
| CAS:25633-33-4 | ChemIDplus |
| CAS:25633-33-4 | KEGG COMPOUND |
| Citations |
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