HMDB0253861 RDKit 3D Benzenemethanol, 4-(1-(3,4-bis(difluoromethoxy)phenyl)-2-(3-methyl-1-oxido-4-... 59 61 0 0 0 0 0 0 0 0999 V2000 -2.0597 3.7041 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 3.8146 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 4.9389 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 5.0848 0.8618 N 0 0 0 0 0 4 0 0 0 0 0 0 1.9942 6.1912 0.7301 O 0 0 0 0 0 1 0 0 0 0 0 0 1.6612 4.0791 1.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9297 2.9247 1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 2.7931 1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0499 1.5256 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 0.6259 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 0.2225 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -0.9313 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -1.3170 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 -0.5227 -0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.9736 -1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 -2.3359 -1.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 -0.9018 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 0.3640 0.4913 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 -1.3113 -0.3826 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -1.8356 0.8761 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 -0.2640 -2.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2446 -0.8472 -2.5717 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 1.0675 -2.0817 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -0.4171 -3.5856 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.6316 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1348 1.0023 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 -0.5822 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -1.1425 1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -2.2604 1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 -2.8458 0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2072 -3.9604 1.0715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5064 -4.6503 2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -5.9413 2.2326 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 -4.8095 2.3319 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 -2.3105 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -2.9540 -1.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 -2.5995 -2.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2323 -2.3400 -3.2019 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4805 -3.6273 -3.5848 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 -1.1970 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 3.4569 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 3.0378 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 4.7109 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3483 5.7396 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 4.1470 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3393 2.1450 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.7505 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 0.9788 2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 1.1944 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -1.5925 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 -2.2594 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 -2.5098 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 1.2498 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 1.9179 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5502 -0.7072 2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -2.6733 2.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 -4.1905 3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -1.7514 -2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3596 -0.7363 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 15 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 14 25 1 0 25 26 2 0 10 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 30 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 35 40 2 0 8 2 1 0 26 11 1 0 40 27 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 6 45 1 0 7 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 12 50 1 0 13 51 1 0 16 52 1 0 25 53 1 0 26 54 1 0 28 55 1 0 29 56 1 0 32 57 1 0 37 58 1 0 40 59 1 0 M CHG 2 4 1 5 -1 M END