HMDB0059614 RDKit 3D Riboflavin cyclic-4',5'-phosphate 49 52 0 0 0 0 0 0 0 0999 V2000 -4.6461 2.6270 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 1.5870 -0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 1.0007 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 0.0356 0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -0.5322 2.1555 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.4807 2.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -2.0619 3.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4178 -1.6973 4.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -3.0216 3.8593 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -3.3911 2.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -4.3070 3.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -2.8429 1.6476 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -1.8828 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7616 -1.3075 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1631 -1.7099 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -0.8166 -0.8670 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2513 -1.3560 -1.8615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 -0.6556 0.3803 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3569 -0.0585 1.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 0.2203 0.2467 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4348 -0.3048 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 0.5614 -0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 2.0638 -0.4322 P 0 0 0 0 0 5 0 0 0 0 0 0 5.0907 2.9550 0.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 2.7764 -1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.5196 -0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.3444 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 0.2303 -1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 1.1938 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 1.8521 -2.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1586 3.6226 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 2.4883 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9417 2.6083 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 1.2874 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 -1.9207 4.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 -1.8625 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -2.7208 -0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.1892 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 -1.1868 -2.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.6541 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 0.9151 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 0.2881 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6678 -1.3361 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 -0.1475 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 2.6929 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 -0.0991 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 1.6127 -3.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 2.9469 -2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 1.4237 -3.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 14 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 2 1 0 27 4 2 0 13 6 1 0 26 20 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 8 35 1 0 15 36 1 0 15 37 1 0 16 38 1 6 17 39 1 0 18 40 1 1 19 41 1 0 20 42 1 1 21 43 1 0 21 44 1 0 25 45 1 0 28 46 1 0 30 47 1 0 30 48 1 0 30 49 1 0 M END