HMDB0241177 RDKit 3D Undeca-3,8-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 4.8098 2.8676 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 1.7137 -1.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 0.4101 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 0.2010 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -1.1965 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4066 -1.5863 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 -1.5212 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 -1.9498 1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -1.1309 1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 -1.4950 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -1.4077 2.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -1.8804 2.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -0.8230 0.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8338 -0.7909 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 -1.5206 -1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 -1.6939 -1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 -1.0513 -3.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 -2.5978 -1.6479 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0565 0.6834 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 1.1720 -0.3871 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4252 0.3024 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 1.7908 -1.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 2.3318 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 3.7260 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0378 2.6330 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 3.1975 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 1.6268 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 1.9851 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3655 -0.4872 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 0.9278 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -1.9091 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 -1.2075 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 -0.8222 2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 -2.6105 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2194 -2.1684 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9299 -0.4676 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 -2.9650 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.1501 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0773 -2.5508 3.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 -0.8147 3.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -1.2970 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -2.5751 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 -1.1116 -1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 1.1928 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 1.1156 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2741 -0.6374 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 0.1610 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 0.8469 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 1.3597 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 2.8801 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 1.5094 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 2.5320 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 2.0367 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 3.2162 0.2304 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 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 M CHG 2 18 -1 20 1 M END