HMDB0003269 RDKit 3D Nicotinuric acid 21 21 0 0 0 0 0 0 0 0999 V2000 3.3661 1.3302 0.7894 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 0.4586 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9139 0.2310 -0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 -0.3075 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 0.0883 -0.1187 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 -0.5313 -0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 -1.4426 -1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -0.2031 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -0.8509 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -0.5699 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 0.4113 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 1.0736 1.3469 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 0.7683 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 0.9678 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -0.1518 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5999 -1.4098 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 0.8342 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -1.6153 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 -1.0578 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 0.6766 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.3002 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 9 18 1 0 10 19 1 0 11 20 1 0 13 21 1 0 M END