HMDB0012197 RDKit 3D Canavaninosuccinate 36 35 0 0 0 0 0 0 0 0999 V2000 -1.5250 1.6451 -1.0358 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 0.4955 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 0.2105 -1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 0.4504 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 -0.6711 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -0.4867 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1681 0.6730 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 1.9220 0.3647 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 0.3826 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 1.1707 -1.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -0.8175 -0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 -0.4846 -0.1473 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 -0.9170 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 0.2580 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 0.8020 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 0.0498 1.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 2.1485 1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 -2.0502 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 -2.4575 1.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 -2.6764 -0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 2.3783 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4829 -0.1987 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -1.5157 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 -0.9474 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 -1.4157 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 -0.4102 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 0.7386 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 2.6962 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 2.1762 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -1.4691 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 -0.9324 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -1.2609 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1327 -0.0911 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 1.0025 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 2.3683 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6398 -2.7659 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 3 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 17 35 1 0 20 36 1 0 M END