HMDB0013326 RDKit 3D trans-2-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 6.6881 2.4905 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 1.0344 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 0.1600 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 0.3511 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 0.0246 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 -1.3893 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -1.7069 1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 -1.5231 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -2.4202 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -2.2893 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -1.4616 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -1.3159 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 -1.9295 -1.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 -0.4502 -0.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 -0.2010 -0.6802 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4015 -0.5104 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3949 0.1861 1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6009 -0.3055 2.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7625 0.0585 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4677 -1.1876 3.3995 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.3502 1.1331 -1.2509 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8942 2.1522 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 1.0883 -2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 1.4309 -1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 2.6786 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2823 3.0494 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6484 2.8685 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8293 0.8634 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 0.7855 1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 -0.9039 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 0.4855 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -0.3367 -1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0462 1.3728 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 0.6854 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 0.2236 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -2.1157 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1144 -1.5169 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 -2.7366 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -1.0115 2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 -0.4562 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -1.8392 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -2.1402 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -3.4613 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -2.8960 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -0.8879 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4688 -0.8750 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 -1.5932 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 -0.2497 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 1.2834 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -0.0037 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 2.8018 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 1.7265 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6856 2.8848 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 2.0928 -2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 0.9010 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 0.2783 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5599 2.2622 -2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0346 0.5649 -2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3509 1.7958 -1.0760 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 1 0 8 9 1 0 9 10 1 0 10 11 2 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 2 0 18 20 1 0 15 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 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 15 46 1 6 16 47 1 0 16 48 1 0 17 49 1 0 17 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 20 -1 21 1 M END