HMDB0001545 RDKit 3D Pyridoxal 21 21 0 0 0 0 0 0 0 0999 V2000 -3.0457 1.1173 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 0.8083 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 1.6878 -0.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 1.4148 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 0.2032 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -0.1198 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 0.9193 -0.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -0.7434 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -2.0263 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 -2.9412 1.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -0.4489 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -1.3258 0.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 0.3062 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4699 1.3633 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1327 2.0110 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 2.1507 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -1.0566 -0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 -0.3892 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 1.5109 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -2.2013 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -2.2405 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 8 11 2 0 11 12 1 0 11 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 9 20 1 0 12 21 1 0 M END