HMDB0241313 RDKit 3D Tridec-2-enoylcarnitine 62 61 0 0 0 0 0 0 0 0999 V2000 4.3359 -1.8161 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7615 -1.4290 -1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 0.0054 -1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 -0.0320 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 1.2803 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9549 2.3656 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 1.9313 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 1.6333 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 1.3553 2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 0.2413 1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7622 0.2857 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 0.2755 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 0.2157 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 0.1655 1.8578 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 0.2084 0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1292 0.1408 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9285 1.3803 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1638 1.3671 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0053 2.3139 1.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4847 0.4112 2.3944 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8305 -1.1527 0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2416 -1.4079 -0.7979 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2463 -1.1193 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4558 -2.8658 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5375 -0.8335 -1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -2.5414 -2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -0.9083 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 -2.2729 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 -2.1013 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9594 -1.5089 -3.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 0.2783 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 0.6149 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 -0.7136 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -0.5006 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 1.1112 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 1.6461 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 3.2452 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1207 2.7110 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 0.9954 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 2.7098 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 2.4481 2.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 0.7323 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 2.2962 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8391 1.2164 3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8603 -0.6738 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 -0.0754 2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 0.3036 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5409 0.3153 -1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 0.0882 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2996 2.1992 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 1.7452 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6538 -1.2984 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -1.9461 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -1.5623 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -0.0472 -2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 -1.6514 -2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -3.1226 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9125 -3.0325 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 -3.4280 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0442 -1.4208 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1982 -0.9603 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4803 0.1891 -1.5323 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 21 52 1 0 21 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 M CHG 2 20 -1 22 1 M END