HMDB0241213 RDKit 3D 7-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 9.1895 -0.5411 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -0.1639 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 0.6274 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 0.9842 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -0.2664 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -0.4475 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -1.6498 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 -1.2789 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.3190 1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.0149 1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 0.5483 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 0.8543 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 1.3621 1.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 0.5634 -0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0166 0.8338 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 1.6534 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 2.9690 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 3.3122 -0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 3.8556 -2.5485 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6502 -0.5328 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -0.5968 -0.1788 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7501 -0.4842 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -1.9668 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6489 0.2507 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 -0.3740 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3803 -1.5915 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 0.1580 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 -1.0729 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 0.5021 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 0.0997 -1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8249 1.6107 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 1.5801 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 1.5329 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 -1.0009 -1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 0.3008 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 -2.3627 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 -2.2251 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -0.7432 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -2.1584 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.7100 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.6664 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 -0.9544 1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 0.6517 2.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 1.4348 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.2568 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 1.3778 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5907 1.8740 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3366 1.2190 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 -1.0326 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -1.0968 -1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4135 -1.3672 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 -0.4695 -2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 0.3773 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0308 -2.6714 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3757 -2.0585 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -2.1111 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7622 0.2297 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5595 -0.1998 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 1.2893 0.8248 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 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 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 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 22 52 1 0 22 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 M CHG 2 19 -1 21 1 M END