HMDB0241195 RDKit 3D Undeca-4,9-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 8.6203 1.0008 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 -0.4672 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4768 -0.9575 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 -0.0596 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 -0.2952 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 0.6629 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 0.4801 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 0.1338 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 -0.0561 0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 0.2057 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 0.0381 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 0.2237 -2.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -0.3213 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 -0.5113 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -1.9731 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4735 -2.6160 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -2.0705 1.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -3.9830 0.8175 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2656 0.4439 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6476 0.5705 -0.0580 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2878 1.1109 1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9266 1.6573 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4211 -0.5351 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7597 1.4729 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7543 1.3988 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5356 1.2213 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1564 -1.1393 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3396 -2.0434 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7685 0.9807 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 -0.1773 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 -1.3485 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 -0.0285 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 0.4988 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 1.6915 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 0.6359 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 -0.0130 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 0.5858 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -1.1149 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 -0.4852 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 1.2512 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -0.2895 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 -2.3534 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 -2.4030 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 0.3316 1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 1.4724 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 1.8559 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2276 1.6406 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5792 0.2928 1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9912 1.9314 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 1.3256 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2948 2.5126 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3606 -1.4090 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2391 -0.7261 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5190 -0.2509 -0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 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 3 28 1 0 4 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 8 36 1 0 9 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