HMDB0285533 RDKit 3D PE(P-18:1(9Z)/18:1(12Z)-2OH(9,10)) 130129 0 0 0 0 0 0 0 0999 V2000 3.5944 -5.8525 -3.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 -6.4188 -2.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9306 -5.3414 -2.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 -4.1815 -1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1684 -4.5342 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 -3.3014 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 -3.1096 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -4.1496 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -4.5122 2.3054 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2969 -5.5529 2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.3902 3.2186 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8740 -2.3979 3.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -2.8726 3.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 -3.8270 3.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -3.3515 3.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -2.0886 4.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -1.8735 4.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 -0.7484 5.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 0.6140 4.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 1.0512 5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 0.5112 5.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 2.1177 4.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 2.5334 4.4640 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6554 3.9653 4.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 4.6742 5.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 5.0052 4.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 5.7097 2.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 6.1163 1.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 5.5780 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 6.0687 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 5.3893 -1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 5.8310 -1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 5.1492 -2.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 5.3398 -4.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 4.3746 -4.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 2.9688 -4.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 2.1917 -5.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 0.7558 -5.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0585 -0.1465 -6.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.2849 -7.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 -0.8288 -7.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 -2.2072 -6.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 -3.2439 -7.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1259 2.1672 3.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 2.3885 3.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 1.8729 1.8992 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9063 0.5423 2.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5198 2.9890 1.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 1.8405 0.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.5719 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 0.7304 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -0.5168 -1.5223 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -5.6741 -2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 -4.9179 -4.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -6.5423 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7068 -6.8378 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2526 -7.2208 -3.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2013 -4.9519 -3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8681 -5.7257 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 -3.7522 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 -3.3695 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1594 -4.7972 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -5.3781 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -2.4482 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 -2.0866 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -5.0929 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -3.8666 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 -5.0012 2.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -5.7100 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -3.8518 4.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -2.0742 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -1.9996 3.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2072 -2.4472 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -4.2855 4.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -4.6973 2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -3.1169 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 -4.1528 4.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 -1.2921 3.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -2.2000 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -2.8485 4.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -1.8391 3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 -0.8556 6.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 -0.8722 5.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 1.3979 5.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1795 0.7975 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 1.8957 5.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 4.5523 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2628 4.0704 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 4.7252 4.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 5.9683 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 7.2263 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 5.6703 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 5.9880 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 4.5094 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 5.8537 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 7.1787 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 4.2936 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 5.6148 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 5.6398 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 6.9439 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 4.1321 -2.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 5.6840 -3.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 6.3978 -4.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 4.6935 -5.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 2.8213 -3.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 2.4317 -4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 2.5954 -5.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 2.2291 -6.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 0.4655 -4.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 0.8334 -4.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.3171 -6.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 -1.0977 -5.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 -0.8744 -8.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 0.7420 -7.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.1541 -6.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -0.8699 -8.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 -2.1690 -5.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2192 -2.5324 -6.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 -2.8675 -8.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 -3.6333 -6.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -4.1397 -7.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 2.7331 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0142 1.0686 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 2.6902 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7424 -0.0216 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.0091 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 1.3259 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 1.2861 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 -0.9109 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -0.2830 -1.9544 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 1 0 11 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 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 2 0 35 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 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 8 67 1 0 9 68 1 1 10 69 1 0 11 70 1 1 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 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 48124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 M END