HMDB0241193 RDKit 3D Undeca-4,8-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 9.3888 1.2063 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4317 0.0601 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1661 0.5107 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9949 0.4510 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7877 0.9133 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -0.2482 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 -0.6752 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -0.6367 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 -0.1695 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 -1.3007 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -0.8732 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1257 -0.3337 -1.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 -1.0575 0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -0.6745 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4138 -1.9274 -0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -2.6617 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 -3.6797 0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -2.2548 1.7480 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2858 0.3531 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5333 0.8720 -0.0409 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6869 2.1778 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6567 1.1117 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6733 0.0940 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1244 1.0322 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9305 1.4082 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 2.1044 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -0.3930 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9045 -0.7420 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2175 0.9007 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9264 0.0707 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 1.2429 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 1.7750 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 -0.0403 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -1.0580 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -1.0510 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 -0.9841 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 0.6546 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 0.2020 -0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 -2.1342 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -1.7029 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 -0.2522 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2938 -1.7887 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 -2.6035 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5704 1.2458 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 0.0093 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6544 2.6293 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8312 2.8276 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7915 1.9556 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3239 0.3219 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1681 2.1063 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7114 1.1805 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5374 0.7804 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 -0.6216 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3524 -0.3330 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 M CHG 2 18 -1 20 1 M END