HMDB0038631 RDKit 3D Camalexin 22 24 0 0 0 0 0 0 0 0999 V2000 -3.2279 0.9560 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 1.6605 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 1.1892 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 -0.0363 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4114 -0.7338 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -0.3393 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 0.7575 -0.2741 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 0.9670 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3819 0.0061 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -1.1600 0.7416 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 -1.8887 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -1.8821 0.8847 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -0.7350 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1159 -0.2629 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2121 1.3738 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 2.6393 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.7163 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 1.8845 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 0.0052 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -2.6613 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -2.6019 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9766 -0.8541 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 1 1 0 13 4 1 0 10 6 1 0 1 15 1 0 2 16 1 0 3 17 1 0 8 18 1 0 9 19 1 0 11 20 1 0 12 21 1 0 14 22 1 0 M END