HMDB0241342 RDKit 3D Trideca-4,6,8-trienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 9.1465 0.8242 1.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0961 -0.6856 1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7328 -1.2151 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -0.8569 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9364 -1.3902 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 -0.6703 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8787 0.7691 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 1.4844 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 0.9028 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 1.6618 -1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1723 1.0444 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 1.5384 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 0.8664 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 0.0415 -1.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 1.0914 -0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 0.4267 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5654 1.4435 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8872 2.4746 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3557 2.4532 0.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7779 3.4906 -0.4923 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.0508 -0.3954 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2503 -1.1280 0.2934 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6703 -1.4794 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3847 -0.4229 0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -2.3763 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0279 1.2006 2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1618 1.1238 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1834 1.1966 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 -1.1124 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3451 -0.9475 2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 -2.3289 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0172 -0.8986 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 0.1990 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0023 -1.3653 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7846 -2.4980 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -1.2418 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 1.3102 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 2.5603 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4103 -0.1569 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 2.7461 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 1.3090 -2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -0.0540 -1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 2.6253 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6152 1.3592 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 -0.2194 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 1.8934 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 0.9907 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2262 -1.1359 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1316 0.1827 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -2.5936 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6838 -1.0614 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -1.3226 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9552 0.1020 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0485 -1.1423 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0142 0.3600 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 -2.8985 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9807 -3.0222 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3343 -2.1699 2.1562 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 2 3 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 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 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