HMDB0262011 RDKit 3D PE(18:3(10,12,15)-OH(9)/20:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 14.8418 6.0145 -0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0941 5.2153 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7712 4.0623 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5433 3.8219 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2775 2.6464 1.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3148 1.7376 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1562 1.4383 1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 0.5366 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0469 0.2434 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 -0.6700 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9996 -1.8696 1.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5961 -0.9497 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6548 -1.8776 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -1.2622 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 0.0316 -2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 0.6864 -2.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 0.1060 -2.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3135 -1.2151 -2.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -1.2551 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -2.2442 -0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1754 -0.3001 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 -0.2264 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 -1.1976 1.1830 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1286 -2.6352 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 -3.2449 2.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -4.8637 2.2966 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8643 -5.0623 2.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -5.2112 3.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 -5.9090 1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -5.5173 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -6.5133 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -6.6660 -0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.1130 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -0.7838 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -0.5460 2.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -0.6728 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6273 -1.9888 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -2.8500 1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7137 -2.4349 2.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 -2.0272 2.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3852 -0.8053 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8835 -0.4966 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5517 -0.3113 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0278 0.0306 2.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8299 -0.9642 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5081 -0.6546 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5867 0.6541 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0354 1.1713 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0105 2.5109 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4191 3.1194 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2813 4.4450 -1.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5927 5.1798 -1.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5751 4.3538 -2.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8821 5.1423 -2.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0907 5.3811 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 6.8954 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 6.3723 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8987 5.8311 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4612 4.7712 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5424 3.3819 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7431 4.4789 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7872 3.0600 2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2175 2.1275 1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5265 1.2700 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8693 1.8557 2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5011 0.1291 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8277 0.6994 2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1189 -0.1508 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -1.6117 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 -0.0679 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5405 -1.5622 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0637 -2.1198 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 -2.7957 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 -1.1488 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -2.0105 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5943 -0.1529 -3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 0.7794 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 1.8055 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 0.8359 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 0.8363 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 0.2059 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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