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InChIKey | FQXXSQDCDRQNQE-VMDGZTHMSA-O |
InChI | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/p+1/t13-,18+,19+/m1/s1 |
SMILES | COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CC[NH+]3C)c45 |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 7 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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keggC:M_C06173 seedM:M_cpd03683 | secondary/obsolete/fantasy identifier |
seedM:cpd03683 | Thebaine thebaine |
chebi:9519 | thebaine (5R,9R,13S)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien (5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan 3-O-methyl-oripavin 4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien Thebaine paramorphine |
chebi:59953 | thebaine 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan-17-ium thebaine(1+) |
metacycM:CPD-7710 | thebaine |
keggC:C06173 | Thebaine |