HMDB0240791 RDKit 3D 3-Methylnonanoylcarnitine 55 54 0 0 0 0 0 0 0 0999 V2000 7.1039 1.0012 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0548 1.4710 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 0.3977 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 -0.8832 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 -0.6852 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -0.2280 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 -0.0238 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2501 -1.3388 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 0.3517 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.6173 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 1.7905 0.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 -0.3186 -0.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -0.0335 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.7472 1.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 -0.3433 2.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 -1.0407 2.7967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 0.8336 3.2833 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9326 -0.1908 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 0.0515 -0.4012 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.9796 0.2102 -1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5165 1.3115 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9602 -1.0517 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7753 0.3014 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 1.8571 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6411 0.4589 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 2.3425 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 1.7765 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 0.1701 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 0.7262 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 -1.2533 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1566 -1.6053 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1804 0.1114 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -1.6379 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -0.9849 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 0.7264 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 0.7101 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -2.1967 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 -1.5079 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 -1.3125 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 -0.3950 -1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.2980 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 1.0730 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1201 -0.5086 2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 -1.8717 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -1.2183 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 0.4923 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5912 -0.6297 -2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 1.1437 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0640 0.1808 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 1.3123 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 2.1627 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8049 1.5505 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2133 -1.9002 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3448 -0.8400 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 -1.4576 -0.3459 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 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 M CHG 2 17 -1 19 1 M END