HMDB0241760 RDKit 3D Nona-2,5-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 6.0623 0.9854 2.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -0.0013 1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -0.2251 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7636 -1.1790 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -1.7062 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -2.6795 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 -2.0799 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 -1.8162 -1.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 -1.2262 -1.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0048 -0.9847 -2.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -0.9151 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -0.3241 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 -1.3044 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.6618 1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -1.1643 1.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9551 -2.5470 1.9499 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4304 1.0244 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 1.7948 -0.0482 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6549 1.5500 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 3.2382 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 1.6470 1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 0.4396 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5839 1.6349 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4865 1.6503 2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 -0.9706 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 0.4024 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 -0.5258 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 0.7548 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 -1.4333 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 -1.4464 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 -3.6483 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 -2.8059 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 -1.8600 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -2.0388 -2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -0.2351 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -2.2206 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -1.0140 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 1.6317 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 1.0501 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9871 2.4803 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 0.8224 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5599 1.0832 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1683 3.8103 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 3.5069 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 3.5171 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 0.7384 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8319 2.5527 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 1.6988 2.0321 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 2 3 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M CHG 2 16 -1 18 1 M END