HMDB0241227 RDKit 3D Dodec-2-enedioylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 -6.8252 -1.3764 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3537 -0.2764 0.0061 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.8307 -0.7076 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0681 0.8774 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 -0.2731 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 0.8688 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0695 1.2437 1.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 1.6849 2.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 2.5625 1.9464 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5285 1.1080 3.6653 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7243 0.5879 -0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 1.3350 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 2.3418 -1.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 1.1195 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 0.1054 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 -0.1973 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -0.1084 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -0.4227 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 0.5538 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 0.3909 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7236 0.6007 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 -0.2372 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8148 -1.7157 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 -1.9780 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 -1.9890 -1.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -2.2136 0.9916 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6072 -0.9695 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 -1.4253 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2789 -2.2953 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4341 -1.6620 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4812 0.0055 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9282 -1.0195 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5605 0.6709 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3489 1.7039 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8738 1.1950 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 -0.5829 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5841 -1.1624 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3313 1.8067 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 0.3816 2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 2.0618 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 1.7440 -1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 -0.5451 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 0.4515 -1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 -1.2404 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 0.8796 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 -0.8393 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 -0.5121 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -1.4314 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 0.5016 -1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0707 1.5993 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 -0.6440 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0344 1.1245 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 1.6870 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7702 0.4789 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7068 0.0424 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 0.0431 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8276 -2.1923 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9982 -2.1497 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0665 -1.5912 0.9979 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 2 3 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 23 58 1 0 26 59 1 0 M CHG 2 2 1 10 -1 M END