HMDB0000189 RDKit 3D Inosine triphosphate 46 48 0 0 0 0 0 0 0 0999 V2000 7.4796 1.1414 -1.9172 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7635 1.0976 -0.5751 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7609 0.4800 0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 2.6948 -0.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 0.1953 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 -1.3959 -0.1830 P 0 0 0 0 0 5 0 0 0 0 0 0 5.8695 -1.3815 1.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 -2.1554 -1.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 -2.2183 -0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.0846 -0.1358 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1468 0.1226 -1.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 -0.5877 1.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3527 -1.5809 -0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -0.5023 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.0521 0.3812 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1522 0.9050 0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 0.6187 0.7496 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4920 1.2261 0.3462 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 2.4965 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 2.7091 0.1406 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 1.5478 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 1.2326 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7817 2.1943 -0.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9706 -0.0316 -1.2518 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -0.9475 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 -0.6359 -0.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 0.6136 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 -0.9233 0.5967 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2821 -1.4911 1.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -1.2001 1.0733 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8064 -0.9470 2.4468 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 -0.4097 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 2.9419 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6916 -3.1448 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 0.3788 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -0.8814 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2257 0.2788 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 0.4179 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 0.7402 1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 3.2616 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4602 3.1688 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 -1.9473 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -1.1532 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -2.2913 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -2.1737 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5082 -1.3270 2.9906 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 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 15 1 0 27 18 1 0 27 21 1 0 3 32 1 0 4 33 1 0 8 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 15 38 1 1 17 39 1 1 19 40 1 0 23 41 1 0 25 42 1 0 28 43 1 6 29 44 1 0 30 45 1 1 31 46 1 0 M END