HMDB0241212 RDKit 3D 5-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 -7.9288 0.7293 1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9464 -0.2680 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8454 -1.2613 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4642 -0.7582 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9607 0.2075 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 0.5005 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 1.0810 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 0.5670 -1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -0.6969 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -0.5489 -1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 0.3975 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 0.5433 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.3325 -1.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 -0.1950 -0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -0.0341 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -1.3501 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 -2.5006 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -2.3581 0.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 -3.7694 -0.5445 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5779 0.4175 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9681 0.6813 0.7562 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6597 0.6531 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6225 -0.3283 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 1.9559 1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2876 0.3848 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6990 1.7287 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9707 0.8321 1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0094 0.2685 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9188 -0.8332 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0193 -1.9787 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 -1.8512 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 -0.2263 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.6424 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9505 -0.1400 2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 1.2176 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 1.3191 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 -0.3314 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 2.0420 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 1.1523 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -1.2879 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -1.3394 -2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -1.5611 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -0.2311 -2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 1.3660 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 -0.0569 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 0.7206 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 -1.4874 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 -1.4054 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.2504 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 1.3942 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4287 1.4890 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 0.8865 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2956 -0.2551 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -1.2853 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6759 0.0363 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6776 -0.4967 1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 1.9091 2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3681 2.1188 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 2.7969 0.9339 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 2 3 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 5 35 1 0 6 36 1 0 6 37 1 0 7 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