HMDB0006323 RDKit 3D Tetracosapentaenoic acid (24:5n-3) 64 63 0 0 0 0 0 0 0 0999 V2000 -10.0155 -0.0245 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3090 -0.2443 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4765 -1.4263 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1994 -1.4322 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4504 -0.1702 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 0.0263 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 0.0976 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 -0.0074 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7568 -1.1663 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -1.1624 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 -0.0750 -1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 1.2566 -1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 2.3314 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 2.3383 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 3.1359 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 2.6512 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 1.2840 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 1.3498 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 0.0036 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -0.6301 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 0.2318 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3363 -0.4322 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -1.7755 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 -1.6921 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 -1.6135 1.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 -1.7025 0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5105 0.9661 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7972 -0.7933 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2519 -0.0035 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1959 -0.4908 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9593 0.7021 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0003 -2.3917 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -2.3647 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1457 -0.1066 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1229 0.7473 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6962 0.1087 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 0.2442 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4227 -0.2272 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 0.9672 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 -2.1266 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 -2.1727 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -0.0239 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 -0.4321 -2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8602 1.4658 -2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 3.3357 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 1.3671 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 2.8399 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 4.2059 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.3781 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 0.8982 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 0.6031 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 1.7189 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 2.0532 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 0.1692 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 -0.7121 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 -0.8729 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -1.5856 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 0.4272 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 1.2160 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 -0.5580 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1755 0.2265 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4232 -2.1629 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 -2.4924 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6020 -1.0211 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 26 64 1 0 M END