HMDB0041970 RDKit 3D Oxmetidine 49 52 0 0 0 0 0 0 0 0999 V2000 -7.1945 -1.5878 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7518 -0.8741 1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4364 -0.1489 2.5667 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6075 0.4078 3.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 0.0029 3.1196 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4019 -0.7802 2.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -1.6021 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3104 -0.8814 -0.3914 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 0.8027 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 0.8809 -1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -0.0490 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.0726 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 -0.9704 -0.5048 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 -0.9428 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -1.7713 -0.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -0.0379 -1.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -0.1335 -2.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 0.0439 -1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 0.9818 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 1.1618 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 0.3435 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7379 -0.6079 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 -0.7469 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.2823 0.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5504 -0.5208 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 0.1903 1.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 0.8574 -2.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 0.7906 -1.8944 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9113 -0.9651 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8197 -2.5924 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3279 -1.5821 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4756 0.0048 2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9538 1.0291 4.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -1.3782 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -2.6509 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 1.1443 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 1.4783 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 0.7060 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 1.9400 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 -0.7283 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -1.1057 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.6819 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 1.6193 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 1.8430 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 -1.5158 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 0.1243 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -1.2839 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 1.6140 -3.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.4863 -2.2351 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 7 8 1 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 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 16 27 2 0 27 28 1 0 6 2 2 0 28 12 1 0 23 18 1 0 26 21 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 7 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 23 45 1 0 25 46 1 0 25 47 1 0 27 48 1 0 28 49 1 0 M END