HMDB0262013 RDKit 3D PE(18:3(9,11,15)-OH(13)/20:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -15.9722 -3.3536 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8000 -3.9933 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0938 -3.0565 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4450 -1.8024 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6593 -0.9694 -2.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1425 0.2395 -1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2937 0.9438 -1.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3094 -0.0389 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9880 -0.1422 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2262 -0.4212 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8892 -0.5393 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0972 -0.8008 1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2774 -1.9887 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 -2.4292 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 -1.5425 0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2815 -0.4471 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2662 0.5483 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 0.1996 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -0.1852 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -1.2185 0.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 0.7859 0.5788 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 0.7263 1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 1.8748 1.5201 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0301 3.0882 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 2.7223 -0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 3.9997 -1.0095 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7198 4.1478 -0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5532 3.6616 -2.6647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 5.3677 -0.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 6.1880 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 7.3911 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 8.2094 1.3629 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.7043 0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 2.3034 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 2.9387 1.6406 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 2.2079 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 1.8573 -1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.6637 -2.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 -0.7121 -1.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4728 -1.4167 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6272 -1.0404 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 -1.0103 -0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1356 -0.6497 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -1.5836 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 -2.9733 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6878 -3.6741 1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9368 -3.1770 1.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1110 -3.3372 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9579 -2.5475 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9269 -1.0740 -0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 -0.4812 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -0.7403 -0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5809 -0.0973 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8224 -0.2174 -0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6550 -2.8186 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5421 -4.1477 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6029 -2.6777 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0803 -4.3350 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1230 -4.8981 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1946 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2.3425 0.7524 -3.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -1.3352 -2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 -0.8852 -2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -1.4714 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 -2.5525 -0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -1.9570 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 -0.2343 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 -1.9714 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7922 -0.2407 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0552 0.3985 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9859 -0.6290 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4837 -1.5648 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1865 -1.1369 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 -3.5115 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 -4.7469 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1475 -3.8996 2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8745 -2.2040 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 -4.4222 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0839 -3.1259 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 -2.8224 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7762 -2.8116 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6998 -0.5705 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0751 -0.8537 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0444 0.6031 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4823 -1.0218 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4932 -1.8197 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 -0.2313 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7107 -0.6017 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2775 0.9396 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6325 -0.8757 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6069 -0.7246 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2037 0.7625 -1.2774 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 0 22 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M END