HMDB0241330 RDKit 3D 4-Hydroxytrideca-6,8-dienoylcarnitine 61 60 0 0 0 0 0 0 0 0999 V2000 6.9189 -2.6039 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9266 -2.3497 -2.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 -1.0583 -2.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 -1.1730 -2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 0.0628 -2.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 0.7986 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 0.4967 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 1.2574 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 2.4944 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 2.2931 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 1.2598 0.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 3.5993 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 3.4546 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 2.5005 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 2.9325 -0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 1.1795 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 0.3209 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4476 -0.7042 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6738 -1.5936 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 -1.5639 1.9055 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -2.5711 0.0335 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4455 -0.1651 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 -1.0329 0.5981 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.0015 -2.4193 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7223 -0.8836 1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4769 -0.9337 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9242 -2.9550 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 -1.6661 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 -3.4092 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -3.1881 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -2.1961 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6892 -0.2104 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 -0.8541 -3.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -1.9736 -2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 -1.4290 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 0.3515 -3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 1.7044 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0098 -0.3902 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 0.9192 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 2.7864 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 3.3094 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 2.0385 2.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 1.1129 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 4.3736 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 3.9161 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 3.0068 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 4.4276 1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 0.9868 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 -1.3192 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -0.1247 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 -0.7610 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 0.6639 1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5034 -2.8279 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8912 -3.0296 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 -2.4028 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0979 0.1330 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3575 -1.6125 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7125 -1.1892 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 -0.8041 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 -0.0919 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -1.9158 -1.3277 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 2 3 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 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 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 22 51 1 0 22 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 26 59 1 0 26 60 1 0 26 61 1 0 M CHG 2 21 -1 23 1 M END