(10bS,4aR)-oxomaritidine

Properties Image MNX_ID MNXM163936 reference chebi:146209 formula C16H20NO3 global charge 1 mol weight 274.34 InChIKey PYHUCQARENXJND-HZPDHXFCSA-O InChI InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,15,19H,2-5,7,9H2,1H3/p+1/t15-,16-/m1/s1 SMILES COC1=C(O)C=C2C[NH+]3CC[C@]4(CCC(=O)C[C@@H]34)C2=C1 MNX internals InChI (mnx) InChI=1/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,15,19H,2-5,7,9H2,1H3/t15-,16-/m1/s1 SMILES (mnx) [CH3:1][O:20][C:14]1=[C:13]([OH:19])[CH:6]=[C:10]2[CH2:9][N:17]3[CH2:5][CH2:4][C@:16]4([CH2:3][CH2:2][C:11](=[O:18])[CH2:7][C@H:15]43)[C:12]2=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0