HMDB0241226 RDKit 3D Dodec-9-enedioylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 -7.2335 0.3101 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 0.7556 0.9939 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6394 2.1202 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2321 -0.0312 2.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9801 0.8340 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -0.2801 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4846 -1.6264 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8953 -1.7128 -1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8241 -0.7265 -2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 -2.9038 -1.9716 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.8351 -0.0134 -0.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 0.0617 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 -0.1142 1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 0.3300 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 -0.9222 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 -0.7240 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 0.1017 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 0.2917 -1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8921 1.1050 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 0.4561 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -0.8766 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 -1.2028 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 -0.3290 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2489 -0.2128 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3325 -0.7922 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 0.5565 0.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 -0.7953 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1836 0.7065 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9693 0.7851 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1751 2.2950 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7318 2.0795 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2875 2.8666 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2249 -0.1442 2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7864 -0.9859 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8163 0.5344 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 1.7569 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 1.0830 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -0.3913 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 -2.0553 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -2.3313 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 0.9031 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.9926 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.5319 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -1.5680 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -0.1734 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 -1.7087 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -0.4732 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 1.0978 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 0.8808 -2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 -0.6762 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 1.3540 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 2.0687 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 1.1651 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 0.3371 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 -1.6563 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4154 -2.2548 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -0.9065 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 0.6473 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4556 1.4761 0.5108 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 1 0 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 2 3 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 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 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