HMDB0304504 RDKit 3D trans-3'-hydroxycotinine 26 27 0 0 0 0 0 0 0 0999 V2000 -1.3586 2.1759 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 0.7537 0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 0.0193 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 0.4823 2.0633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 -1.4289 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 -1.5637 -0.2886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 -1.5502 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4217 -0.1683 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 0.0212 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 0.0218 -1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.1960 -0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 0.3764 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 0.3780 1.3252 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 0.2049 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 2.3740 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 2.7464 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 2.6072 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -2.1039 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -2.0534 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0019 -2.2172 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -2.0310 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -0.0395 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6676 -0.1204 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 0.1941 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 0.5126 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 0.2125 1.8330 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 2 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END