HMDB0041438 RDKit 3D Pseudomonine 42 44 0 0 0 0 0 0 0 0999 V2000 -1.7149 1.8730 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 2.7615 1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 2.4072 1.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 2.1624 0.8577 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 1.5222 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 0.0368 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -0.7393 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 -1.2295 1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 -1.8868 1.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.8414 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -1.1332 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 2.5964 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 2.9799 -1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 2.4537 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3584 1.1138 -0.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 0.6889 -1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 1.5505 -1.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -0.7261 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 -1.7142 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 -3.0602 -0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 -3.4802 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 -2.5351 -2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 -1.1573 -2.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3968 -0.3363 -2.8284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 0.8539 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 1.7025 1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 2.3030 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 3.8391 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 1.7189 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 1.9392 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 -0.3600 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 -0.1672 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.0855 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0318 -2.3783 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 -2.3114 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 3.1956 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 0.3929 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -1.3966 0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 -3.8016 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 -4.5352 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -2.8275 -2.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 0.6117 -2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 4 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 14 2 1 0 23 18 1 0 11 7 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 14 36 1 0 15 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 24 42 1 0 M END