HMDB0241720 RDKit 3D Octa-2,5-dienoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 5.5060 -1.4343 -1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 -0.5372 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -1.1818 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 -0.7672 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 0.5463 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 1.2743 1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 1.6850 2.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 1.5740 1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 2.0816 2.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 0.9783 0.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 0.9298 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 1.5165 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 2.9092 -1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 3.4303 -2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8049 3.5789 -0.0914 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0822 -0.5253 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -0.7937 -0.2738 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5175 -0.9935 -1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -2.1107 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 0.1182 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1936 -0.9385 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0127 -2.3754 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 -1.5913 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3852 -0.5507 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0715 0.4559 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 -2.2128 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.4087 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 1.1249 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 0.4671 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 1.4566 2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 2.2218 3.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 1.4683 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 0.9389 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 1.4101 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 -0.9769 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -1.0520 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 -0.2994 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -0.8786 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 -2.0153 -1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.9158 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8647 -2.1500 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2464 -2.2409 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 0.7810 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 -0.4878 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 0.6972 1.0400 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 2 3 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 18 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 M CHG 2 15 -1 17 1 M END