HMDB0253359 RDKit 3D 6-[[3-Fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one 53 56 0 0 0 0 0 0 0 0999 V2000 -4.6496 -0.4505 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7999 -0.6463 1.5862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1854 -0.2217 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -0.5556 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -1.0374 -1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -1.3065 -2.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -1.7979 -3.8384 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -1.1096 -2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 -0.6146 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -0.4413 -0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 0.0213 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 0.1102 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 1.3384 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 1.4970 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 0.4329 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 -0.7992 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 -1.8761 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0993 -1.6772 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5993 -0.4423 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 -0.2803 0.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8073 0.6081 0.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3754 1.8932 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.9341 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 -0.3480 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2927 1.2762 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5911 1.8494 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6847 1.0075 -0.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3699 -0.0968 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3969 -0.9495 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6318 -0.9102 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1487 -0.8678 3.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7868 0.6383 2.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1784 -1.1891 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -1.3391 -2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 1.0018 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 -0.6779 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 2.1741 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 2.4423 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 -2.8394 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7843 -2.4862 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2355 2.6417 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9515 2.2190 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 1.7729 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 -1.9098 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 0.0369 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 1.7490 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 1.6808 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 2.7468 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 2.2439 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 -0.6633 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 0.2946 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 -1.8637 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0146 -1.3448 0.7538 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 16 23 2 0 9 24 2 0 3 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 3 1 0 24 4 1 0 23 12 1 0 21 15 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 8 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 17 39 1 0 18 40 1 0 22 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 26 49 1 0 28 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 M END