HMDB0060383 RDKit 3D 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 50 51 0 0 0 0 0 0 0 0999 V2000 -3.8676 3.4707 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 2.4341 0.5073 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 1.1540 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 0.1167 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.2356 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -1.3483 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1759 -0.7150 -0.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.3774 -0.1445 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5396 1.0639 0.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8064 1.2843 0.5645 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9490 2.5996 1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 2.9694 1.7175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 3.4671 1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 1.1683 -0.5355 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0952 1.4901 -0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 -0.2489 -1.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4433 -0.2060 -2.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 -0.6047 -1.3359 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2279 -1.8056 -1.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.5536 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4893 -2.8123 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -3.9642 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -4.8832 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 -4.6240 -1.0552 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 -3.4933 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 2.7026 0.6275 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 3.9007 0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3401 3.2248 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 4.4689 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 3.4012 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 1.3096 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1889 0.8121 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -0.7572 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 0.5359 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9601 -0.4926 1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 0.6085 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -1.4803 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8487 -0.7282 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 0.4535 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 3.9522 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 1.8286 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5919 1.9829 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 -0.9710 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -0.4263 -3.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 0.1735 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 -2.4302 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -2.0962 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -4.1498 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -5.7874 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -3.3816 -1.0940 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 1 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 2 0 11 13 1 0 10 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 6 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 2 26 1 0 26 27 2 0 18 8 1 0 25 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 8 38 1 1 10 39 1 1 13 40 1 0 14 41 1 6 15 42 1 0 16 43 1 1 17 44 1 0 18 45 1 6 19 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 25 50 1 0 M END