pyridoxatin

Properties Image MNX_ID MNXM160687 reference chebi:84035 formula C15H21NO3 global charge 0 mol weight 263.337 InChIKey OQJADHLOEAOIGC-NOHGZBONSA-N InChI InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1 SMILES C=C[C@H]1C[C@@H](C)C[C@@H](C)[C@@H]1C1=C(O)C=CN(O)C1=O MNX internals InChI (mnx) InChI=1/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1 SMILES (mnx) [CH2:1]=[CH:4][C@H:11]1[CH2:8][C@@H:9]([CH3:2])[CH2:7][C@@H:10]([CH3:3])[C@@H:13]1[C:14]1=[C:12]([OH:17])[CH:5]=[CH:6][N:16]([OH:19])[C:15]1=[O:18]

Parent-child relations graph

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