HMDB0304543 RDKit 3D beta-nicotinate D-ribonucleotide 34 35 0 0 0 0 0 0 0 0999 V2000 -5.4683 1.2481 -1.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2424 1.3575 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 2.3761 -2.0344 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5654 0.3924 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2587 -0.6337 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -1.5239 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -1.3730 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -0.3773 0.4335 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.1657 -0.2647 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.4165 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 -0.1439 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 0.8183 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 1.8873 -1.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 2.8765 -0.8639 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6119 2.6994 0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 4.5011 -1.0937 O 0 0 0 0 0 1 0 0 0 0 0 0 5.4769 2.3609 -1.8271 O 0 0 0 0 0 1 0 0 0 0 0 0 1.9128 -1.2628 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -0.6886 1.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -1.6527 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -2.3087 -0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 0.4874 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 -0.6909 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 -2.3165 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -2.1179 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.1780 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7646 -0.5770 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 1.0980 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8184 0.2442 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -2.0979 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 -0.7672 2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 -2.1987 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 -3.2262 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 1.2798 -0.7989 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 14 17 1 0 11 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 2 0 22 4 1 0 20 9 1 0 5 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 22 34 1 0 M CHG 4 3 -1 8 1 16 -1 17 -1 M END