HMDB0034854 RDKit 3D Flumioxazin 41 44 0 0 0 0 0 0 0 0999 V2000 3.4335 2.3416 2.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 1.1626 2.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -0.2817 2.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 -0.4340 0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -0.5354 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0965 -0.7618 1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 -0.3894 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 -0.7173 -2.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 -0.6245 -1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 -0.6720 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 -0.5855 -2.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -0.6355 -3.2543 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -0.4446 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -0.3703 -0.6315 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 -1.0029 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -1.7706 1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0374 -0.6289 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1961 0.1745 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5364 0.7044 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 1.0868 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2659 0.0190 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 -0.9998 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 0.3787 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 1.1190 -2.3514 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -0.3936 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -0.4821 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 3.4005 2.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -0.7337 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 -0.6534 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8593 0.6971 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 -1.0390 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 -0.7845 -3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 -0.1054 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 1.5699 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8138 2.0421 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3147 1.3893 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2492 -0.5195 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 0.5127 2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -1.1540 2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 -2.0051 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -0.2820 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 23 1 0 23 24 2 0 13 25 1 0 25 26 2 0 26 4 1 0 26 9 1 0 23 14 1 0 22 17 1 0 1 27 1 0 3 28 1 0 3 29 1 0 7 30 1 0 7 31 1 0 10 32 1 0 19 33 1 0 19 34 1 0 20 35 1 0 20 36 1 0 21 37 1 0 21 38 1 0 22 39 1 0 22 40 1 0 25 41 1 0 M END