cathenamine

Properties Image MNX_ID MNXM5660 reference chebi:3472 formula C21H22N2O3 global charge 0 mol weight 350.418 InChIKey BXTHVTLKWJZGAA-ODYMNIRHSA-N InChI InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1 SMILES COC(=O)C1=CO[C@@H](C)C2=CN3CCC4=C(NC5=CC=CC=C54)[C@@H]3C[C@H]12 MNX internals InChI (mnx) InChI=1/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[C:16]2=[CH:10][N:23]3[CH2:8][CH2:7][C:14]4=[C:20]([C@@H:19]3[CH2:9][C@@H:15]2[C:17]([C:21](=[O:24])[O:25][CH3:2])=[CH:11][O:26]1)[NH:22][C:18]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]41

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0