HMDB0241717 RDKit 3D Octa-2,6-dienoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 6.6204 1.1456 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 -0.2979 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -1.1024 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -0.5793 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -1.2764 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 -0.7351 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 0.1803 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 0.6538 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1433 1.5450 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 0.1888 -0.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 0.7258 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 1.3364 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 2.0012 -1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 1.4391 -2.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 3.2647 -1.3544 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5890 -0.5007 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 -0.4652 0.3015 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6507 -1.1160 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 0.7807 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 -1.3425 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 1.3525 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 1.6003 1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 1.6567 0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 -0.7208 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -2.1743 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5152 0.5119 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 -0.8392 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -2.3641 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 -1.0619 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 -1.1149 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 0.5654 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 1.4592 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 2.1179 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 0.5679 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 -1.2437 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 -1.0218 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6105 -0.6086 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -2.1788 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 -1.1214 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 1.5630 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3438 1.1234 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 0.6614 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4084 -1.5552 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 -0.7789 2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6964 -2.2415 1.4715 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 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 3 25 1 0 4 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