HMDB0242551 RDKit 3D Cotinine-N-glucuronide 45 47 0 0 0 0 0 0 0 0999 V2000 4.0678 0.7184 -1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 0.3204 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -0.0996 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -0.2483 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9723 -0.3380 1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 -0.5422 1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.2796 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 -0.2569 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -1.3815 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -1.9063 -1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -1.2305 -1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.1221 -0.4747 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8351 0.5397 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 -0.1599 -0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 0.3641 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 -0.4111 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7296 -1.4643 -2.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3707 0.0113 -1.6676 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4490 0.1033 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 -1.2898 0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 0.8053 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 2.1249 1.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 0.8211 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3512 -0.1248 1.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 0.3611 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -0.0651 -2.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 1.7002 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 0.9207 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 0.5228 2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -1.2657 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -0.2061 2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -1.6203 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 1.3225 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 -1.8903 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 -2.7749 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -1.5786 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 1.5283 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 1.4421 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4913 0.4318 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 -1.6433 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 0.3434 2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 2.6261 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 1.8128 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 0.2706 2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 1.2490 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 25 2 0 7 2 1 0 25 8 1 0 23 13 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 13 37 1 0 15 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 M CHG 2 12 1 18 -1 M END