HMDB0241254 RDKit 3D 2-Hydroxydodeca-4,6-dienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 8.4545 0.8097 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9275 -0.4528 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.2351 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -0.4068 -1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 0.0304 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -1.1714 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -1.4470 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -0.6076 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.9881 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 -0.1873 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 0.1867 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 -0.9416 1.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 0.9567 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 2.0283 0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 0.5257 0.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 1.3220 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 1.7807 1.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 2.6388 1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6946 2.9597 0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2395 3.0973 2.4744 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4257 0.3806 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 -0.2709 -1.3906 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8234 -0.7464 -2.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0874 -1.4603 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8841 0.5456 -2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 0.8818 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 0.7204 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 1.7027 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3681 -0.2292 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 -1.1362 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 -1.5229 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 -2.1723 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 -0.9666 -1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 0.5132 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2467 0.6745 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6322 0.6997 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 -1.8499 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 -2.3669 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 0.3212 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -1.9088 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 -0.7924 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 0.6953 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 0.8185 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -1.7360 1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1727 2.1813 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 0.8809 2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 2.3523 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8606 -0.4126 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 0.9433 -0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5356 -0.6008 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 -1.8082 -2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 -0.1272 -2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 -2.3887 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0292 -1.4126 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1063 -1.5615 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 0.2361 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0566 0.3814 -3.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 1.6436 -1.9736 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 2 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 M CHG 2 20 -1 22 1 M END