HMDB0006246 RDKit 3D Tetracosatetraenoic acid (24:4n-6) 66 65 0 0 0 0 0 0 0 0999 V2000 -8.5781 1.3276 1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1192 0.2069 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0286 -0.2890 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8487 -0.8003 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7635 -1.2948 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 -1.7795 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4117 -1.3810 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 -0.3094 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 0.5402 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3151 0.6342 -1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 -0.1348 -2.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 0.8559 -3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 0.9493 -3.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 0.0665 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 0.8450 -1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 0.8863 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 0.1767 -1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -0.7893 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -0.1291 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 0.8862 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6587 1.4824 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3324 0.4693 2.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4229 -0.2463 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0586 -1.2404 2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6517 -1.3549 3.4773 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 -2.0105 1.8168 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3694 2.1149 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6573 1.7792 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3236 0.9335 2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4623 -0.6040 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9541 0.5530 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 0.4912 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3557 -1.1549 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4936 0.0669 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1995 -1.6098 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2738 -2.2327 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6107 -0.5637 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9007 -2.6403 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 -1.9428 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 0.3848 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -0.6986 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 1.1994 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9524 1.3254 -2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 -0.6509 -3.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -0.9563 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 1.5791 -4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 1.7220 -3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.7138 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -0.5193 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 1.4219 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 1.5144 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2077 -0.3337 -2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 0.8979 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -1.3874 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 -1.4962 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 0.2781 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5537 -0.9514 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8331 0.4590 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 1.7010 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3778 2.2993 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8462 1.9497 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -0.2346 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 0.9604 3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1849 0.5040 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9743 -0.7716 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6492 -1.7170 1.0148 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 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 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 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 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 26 66 1 0 M END