HMDB0040988 RDKit 3D Falimint 31 31 0 0 0 0 0 0 0 0999 V2000 3.4220 -1.1290 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -0.6383 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -1.1306 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9075 -0.7980 -0.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 0.3508 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.6132 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 2.7570 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 2.6626 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 3.8097 0.2379 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2093 3.7383 0.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 5.0493 -0.0501 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7734 1.3816 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.2460 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5137 -1.0515 0.2509 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -1.3573 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 -2.8089 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -0.5340 1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 -2.1651 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 -1.0850 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 -0.5008 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -1.1096 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 0.4253 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2497 -0.9187 -2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -2.2638 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 1.7025 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 3.7387 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 1.3576 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 -1.8913 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 -3.1199 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -2.9400 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 -3.3906 0.2674 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 6 25 1 0 7 26 1 0 12 27 1 0 14 28 1 0 16 29 1 0 16 30 1 0 16 31 1 0 M CHG 2 9 1 11 -1 M END