HMDB0252202 RDKit 3D Fenitrooxone 29 29 0 0 0 0 0 0 0 0999 V2000 3.1126 2.3017 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 1.2251 1.4288 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -0.1214 0.4404 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5538 0.3035 -1.0226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -1.2113 0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 -2.0023 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -0.9764 0.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -0.4866 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 0.7829 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 1.3249 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 0.5698 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 1.1568 -0.7199 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8708 0.4352 -1.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1331 2.5065 -0.6271 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6351 -0.7004 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -1.4785 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 -1.1913 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 2.9479 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8736 2.8732 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 1.9561 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -1.8268 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 -1.8228 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 -3.0965 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5854 1.3810 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 2.3198 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2396 -1.7655 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -2.4135 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6448 -0.8177 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 -2.1733 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 3 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 1 0 15 16 1 0 15 17 2 0 17 8 1 0 1 18 1 0 1 19 1 0 1 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 9 24 1 0 10 25 1 0 16 26 1 0 16 27 1 0 16 28 1 0 17 29 1 0 M CHG 2 12 1 14 -1 M END