HMDB0006806 RDKit 3D Propinol adenylate 45 47 0 0 0 0 0 0 0 0999 V2000 8.2931 -0.7246 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2145 0.3039 1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 0.3079 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4651 0.8417 -0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0336 -0.3151 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 -0.3980 -0.4759 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1799 0.3377 -1.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 -2.0532 -0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 0.0982 0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 0.1388 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 0.5938 -0.0716 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0116 0.6654 -0.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 0.3914 -0.1242 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3132 0.1796 -0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 -0.1234 -2.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 -0.2417 -2.4692 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4642 -0.0074 -1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -0.0055 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7861 -0.2687 -2.1534 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 0.2687 0.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4041 0.5301 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0792 0.5228 0.8728 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5523 0.2580 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.9092 0.5350 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4245 -1.2828 1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 -0.4025 1.0038 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4900 0.2773 2.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7962 -1.7264 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0927 -0.7460 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.4772 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 1.2821 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7306 -0.0078 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -2.3270 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 0.9214 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -0.7968 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2108 1.6165 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 1.2062 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 -0.2623 -2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4528 0.4620 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8177 -1.1988 -2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8257 0.7421 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 -1.6429 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -2.1172 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -1.2063 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 1.2426 2.0169 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 6 7 2 0 6 8 1 0 6 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 11 1 0 23 14 1 0 23 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 8 33 1 0 10 34 1 0 10 35 1 0 11 36 1 1 13 37 1 1 15 38 1 0 19 39 1 0 19 40 1 0 21 41 1 0 24 42 1 6 25 43 1 0 26 44 1 1 27 45 1 0 M END