HMDB0241718 RDKit 3D Octa-3,6-dienoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 7.1198 1.1243 2.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8391 0.9046 1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 0.0913 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -0.2548 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 0.2256 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 0.7049 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 0.2398 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0781 -0.3595 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -0.4400 0.7747 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -0.8564 -0.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -1.3842 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4179 -2.8380 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -3.0539 -1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 -3.2700 -2.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 -3.0273 -2.1644 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5757 -0.7065 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5469 0.7164 -0.0931 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9000 1.1656 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 1.3748 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9482 1.1323 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3225 2.2275 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 0.9869 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 0.5806 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 1.5132 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6569 -0.4627 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -1.4254 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -0.2347 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 1.0268 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 1.3731 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 -0.4673 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 1.1095 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 -1.3422 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -3.3556 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 -3.3017 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 -1.1556 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -0.8737 -1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.4741 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 2.1056 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 1.5070 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 0.5977 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 1.8540 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 2.1246 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5767 0.6419 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3113 0.7781 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 2.2293 -0.0155 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 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 3 25 1 0 4 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