HMDB0001390 RDKit 3D Hydroxycotinine 26 27 0 0 0 0 0 0 0 0999 V2000 -0.8294 2.1833 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 0.7931 0.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 0.2934 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4767 0.9270 1.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -1.1108 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -1.9953 1.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -1.2499 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 -0.4077 0.3616 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0292 -0.2521 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 0.7389 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 0.9012 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 0.0573 -0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 -0.9080 -1.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -1.0769 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 2.4082 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 2.7937 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 2.6231 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -1.2555 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -2.8779 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 -2.2847 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.7492 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -0.9352 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 1.4296 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 1.6861 0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7239 0.1503 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -1.8820 -1.4756 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 1 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END