HMDB0005060 RDKit 3D Eicosadienoic acid 58 57 0 0 0 0 0 0 0 0999 V2000 -6.6445 -1.5145 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -0.3592 -1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2945 0.8714 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 2.0517 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2432 1.9664 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 1.6256 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 0.6846 2.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3515 -0.3387 2.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 -0.4674 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 -0.3181 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.0010 2.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.0625 2.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -1.3258 1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 -0.1074 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 -0.5307 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 0.7171 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 0.4407 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -0.6294 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 -0.9252 -1.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 0.2028 -1.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1528 1.3551 -1.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 -0.0535 -2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8363 -1.8905 -0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5357 -1.1062 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 -2.3066 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1582 -0.1650 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 -0.6828 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1598 1.1008 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8132 0.6346 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0509 2.9617 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 2.2760 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4391 1.3584 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 3.0225 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 2.2829 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 0.6637 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -1.3869 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7678 -0.3490 2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 -0.7552 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.4386 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 0.3268 3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 0.9284 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -2.0348 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 -0.6937 3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -2.1578 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 -1.7256 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 0.3123 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 0.6783 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 -0.9281 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -1.3428 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 1.5046 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 1.0117 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 1.3763 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.1244 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -1.5780 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 -0.4791 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 -1.7394 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 -1.2429 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 0.1557 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 22 58 1 0 M END