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CHEBI:17286 - deacetylisoipecoside
| Formula | C25H33NO11 |
| Net Charge | 0 |
| Average Mass | 523.535 |
| Monoisotopic Mass | 523.20536 |
| SMILES | [H][C@]1(C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])NCCc2cc(O)c(O)cc21 |
| InChI | InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1 |
| InChIKey | MTAVTRZTGFLKSC-ONGZBVEHSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deacetylisoipecoside (CHEBI:17286) is a isoquinoline alkaloid (CHEBI:24921) |
| deacetylisoipecoside (CHEBI:17286) is a isoquinolines (CHEBI:24922) |
| deacetylisoipecoside (CHEBI:17286) is a methyl ester (CHEBI:25248) |
| deacetylisoipecoside (CHEBI:17286) is a β-D-glucoside (CHEBI:22798) |
| deacetylisoipecoside (CHEBI:17286) is conjugate base of deacetylisoipecoside(1+) (CHEBI:58091) |
| Incoming Relation(s) |
| deacetylisoipecoside(1+) (CHEBI:58091) is conjugate acid of deacetylisoipecoside (CHEBI:17286) |
| IUPAC Name |
|---|
| methyl (2S,3R,4S)-3-ethenyl-4-{[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate |
| Synonym | Source |
|---|---|
| Deacetylisoipecoside | KEGG COMPOUND |