HMDB0013328 RDKit 3D Pimelylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 -3.5776 -1.4901 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 -0.3201 -0.4787 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1304 -0.6531 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 -0.1121 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 0.8895 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 0.8398 0.9560 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2784 0.5038 2.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1815 1.5333 2.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 1.3561 4.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5229 2.7106 2.3327 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8437 0.2385 0.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 0.8578 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 2.1028 0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 0.2121 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 -0.1069 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 -0.7754 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 0.1467 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7585 -0.5329 -1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6603 -0.8467 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -1.8894 0.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 0.0100 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 -1.5117 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 -1.7940 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -2.3418 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 -1.1676 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 -1.3732 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1492 0.2313 -2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4745 -0.8754 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6655 -0.1974 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2797 0.9261 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 1.5333 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 1.4363 0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 1.9477 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.6158 2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -0.4598 2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 -0.7040 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 0.8410 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 -0.8101 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.8062 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 -0.9993 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -1.7340 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 0.3911 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7459 1.0665 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 -1.4505 -1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 0.1509 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 0.7987 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 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 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 1 7 34 1 0 7 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 21 46 1 0 M CHG 2 2 1 10 -1 M END