HMDB0259217 RDKit 3D Triheptanoin 74 73 0 0 0 0 0 0 0 0999 V2000 10.8779 -0.5448 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4524 -0.7814 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0829 -2.1657 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 -2.5317 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6998 -1.5791 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3472 -2.0424 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -1.1550 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6086 -0.1768 -1.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 -1.3174 -0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0121 -0.4207 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -0.6910 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 -2.0816 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.4536 -0.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 -2.5180 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -2.2119 1.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 -2.9163 1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -1.7203 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3612 -2.2093 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3353 -1.0596 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7298 -1.5370 1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7079 -0.3930 2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.2959 -0.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 1.1853 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 1.0963 1.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 2.2342 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 2.9735 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 3.9907 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 5.1892 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 4.9410 -2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 4.2672 -2.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7728 -0.6145 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 0.4490 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5361 -1.3279 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -0.6855 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7928 -0.0304 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 -2.2333 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 -2.8738 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -2.5213 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -3.5692 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7146 -1.5549 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9082 -0.5546 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1863 -3.1038 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -1.9160 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 -0.4104 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 0.6362 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -0.5939 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -2.1002 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -2.7690 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -3.4419 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -3.5838 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6158 -1.0165 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 -1.1627 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7432 -2.8711 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 -2.8062 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -0.3838 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -0.5086 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7099 -2.0790 2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1355 -2.2253 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4883 -0.4115 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2160 -0.3947 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1702 0.5800 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 1.8121 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 2.9079 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 2.1964 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 3.3763 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 3.4432 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 4.3155 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 5.9161 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 5.7441 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 4.4202 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 5.9606 -2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 4.8127 -2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 4.2691 -4.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0711 3.2376 -2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 M END