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InChIKey | MLIQIRKAHMVCDD-MMGCJVFTSA-O |
InChI | InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/p+1/t17-,18+,20+,21+,22-/m1/s1 |
SMILES | CC[C@@]12C[C@@](O)([C@@H]3Nc4cc(OC)ccc4[C@@]33CC[NH+](CC=C1)[C@@H]23)C(=O)OC |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 6 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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chebi:58485 | (3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-inium-3alpha-carboxylate |
chebi:18430 | 3-hydroxy-16-methoxy-2,3-dihydrotabersonine 16-Methoxy-2,3-dihydro-3-hydroxytabersonine 16-methoxy-2,3-dihydro-3-hydroxytabersonine methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate |
chebi:11331 chebi:19160 chebi:768 keggC:M_C04578 seedM:M_cpd02787 | secondary/obsolete/fantasy identifier |
keggC:C04578 | 16-Methoxy-2,3-dihydro-3-hydroxytabersonine (3R)-3-Hydroxy-16-methoxy-2,3-dihydrotabersonine |
metacycM:16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON | (3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine |
seedM:cpd02787 | 16-Methoxy-2,3-dihydro-3-hydroxytabersonine (3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine 16-methoxy-2,3-dihydro-3-hydroxytabersonine 3-hydroxy-16-methoxy-2,3-dihydrotabersonine |