HMDB0241224 RDKit 3D (9E)-7-Hydroxydodec-9-enoylcarnitine 60 59 0 0 0 0 0 0 0 0999 V2000 9.4433 1.5116 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 1.4328 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9911 0.1648 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 -0.7516 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -0.7102 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 -0.8229 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 0.2847 -0.8573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -0.8272 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -0.9535 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 0.1221 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.0722 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -0.0783 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 -0.2667 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -0.3962 -1.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -0.3076 0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4126 -0.4849 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 -1.8078 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -1.9325 1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -0.9902 2.3638 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 -3.0968 2.2392 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1961 0.7028 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5711 0.7319 -0.2796 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.9557 2.1569 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8373 0.2178 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 0.1369 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8221 2.5428 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 0.7733 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 1.2255 1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 2.2752 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 1.4923 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 0.0029 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1515 -1.6576 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 0.2045 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1137 -1.5850 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 -1.7269 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1518 0.0528 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -1.6436 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 0.1053 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -0.9683 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 -1.9730 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 1.1103 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 0.0684 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 0.7947 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -0.9756 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8185 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -0.9617 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 -0.5729 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8204 -2.1604 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 -2.5572 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7034 1.5855 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 0.8998 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0561 2.2694 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6051 2.6081 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4969 2.7033 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9624 0.2164 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3158 -0.8008 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6067 0.8543 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8677 0.2824 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6763 -0.9031 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3478 0.7050 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 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 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 M CHG 2 20 -1 22 1 M END