HMDB0241722 RDKit 3D Octa-3,5-dienoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 8.1262 1.2385 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 0.2545 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8397 0.3091 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 0.6185 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 0.6793 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 0.9963 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 1.0578 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 0.0815 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 -0.6077 -1.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 -0.1561 0.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -1.1146 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 -2.2175 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -3.3379 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3036 -4.2654 1.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6688 -3.5045 -0.8238 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2654 -0.5188 -0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 0.2505 -0.0146 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4073 -0.1421 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4758 0.1981 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 1.6703 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 1.5509 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1844 2.1392 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1512 0.7750 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5733 -0.7530 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8507 0.4641 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 0.0961 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 0.8367 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 0.4602 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 1.2015 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 2.0748 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 0.9148 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 -1.6088 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -1.8619 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -2.6549 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9498 0.1590 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 -1.3081 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 0.1951 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 0.3932 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -1.1975 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5988 1.0525 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3018 0.2352 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5454 -0.7206 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 1.9215 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 2.2688 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 1.8767 0.8183 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 2 3 6 7 1 0 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 6 29 1 0 7 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