HMDB0267437 RDKit 3D PA(i-13:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 109108 0 0 0 0 0 0 0 0999 V2000 -15.4722 -0.8243 -2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1792 -0.5873 -3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0420 -0.1846 -2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3861 1.1076 -1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1970 1.4772 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0004 0.3604 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8924 -0.3503 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7137 -0.0935 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5103 0.2725 -0.0223 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4030 0.5127 -0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1707 -0.8309 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0794 -0.7384 1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7279 -1.7755 2.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6586 -1.7302 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 -0.6158 3.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -1.1428 3.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 -0.7741 1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 0.2216 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 1.4891 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.4327 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 0.8893 1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 0.5990 2.7692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 0.6570 1.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 0.1518 2.2029 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3134 1.2061 2.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 1.7240 1.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 2.7400 1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 3.1559 2.8544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 3.3524 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 2.4378 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 1.1342 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 1.4850 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8184 0.3157 0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 -0.5991 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 0.1204 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0678 0.6976 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -0.2873 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 -1.3396 -1.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0235 -0.8806 -3.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4046 -2.3150 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -1.1538 1.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 -1.0812 0.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -2.5700 0.2159 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6153 -2.3782 -0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 -3.5279 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -3.4376 -0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2334 -1.0666 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0962 0.1018 -2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9936 -1.6931 -3.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8566 -1.5578 -4.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2600 0.1668 -4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8624 -0.9694 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1567 -0.0186 -3.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5886 1.9113 -2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2364 0.9368 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4525 2.4303 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3854 1.7176 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8434 0.0873 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8707 -1.1716 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8204 0.6402 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4343 -1.0733 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6626 1.1816 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6603 1.0908 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7926 -1.7079 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4915 0.1404 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4123 -2.6486 2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5127 -2.5957 4.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5756 -0.3198 4.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0642 0.2087 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -1.9146 3.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 -1.3187 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 0.4201 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -0.3052 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 2.1402 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 2.1134 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.8835 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 2.4819 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -0.0430 3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 0.7491 3.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 2.0008 3.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1437 4.2311 0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 3.7250 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 2.1290 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 2.9182 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 0.5369 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 0.6149 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4552 2.2069 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7972 2.0454 1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7367 0.6654 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2654 -0.2972 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5931 -1.4832 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 -0.9327 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0861 0.9746 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7818 -0.5718 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8754 1.3793 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 1.3803 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 -0.7651 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9830 0.3021 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5213 -1.9369 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 -1.4239 -4.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8865 0.1925 -3.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1428 -1.0350 -3.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4230 -3.2792 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4400 -1.9231 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1038 -2.5032 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 -1.9195 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -1.4415 2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 -3.9339 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4267 -3.6384 -0.3542 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 1 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 1 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END