HMDB0282213 RDKit 3D PS(20:1(11Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 137136 0 0 0 0 0 0 0 0999 V2000 0.2313 -5.1789 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -4.8608 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -5.5071 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 -4.8814 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0338 -3.4206 -1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 -2.8878 -3.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 -1.9386 -3.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -1.1235 -2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 0.2798 -2.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 0.6359 -3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 1.3378 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7157 1.6791 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2111 2.8174 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 3.1784 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 2.5208 2.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 2.2429 3.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 1.1321 4.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 -0.1947 3.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 -0.8735 3.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -2.2196 2.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -2.6386 3.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -1.8550 3.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 -3.8066 2.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -4.0846 2.8854 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2385 -4.2211 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -3.0821 0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 -2.8487 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 -3.7385 -0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 -1.6470 -1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -1.3211 -1.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 -0.1358 -2.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 1.0799 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 2.1539 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 3.3965 -2.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 4.3977 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 5.6609 -3.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 5.2276 -2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 6.2738 -1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 6.4791 -2.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 5.6634 -3.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9466 4.8651 -3.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 5.6153 -2.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2292 4.5744 -2.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 5.1707 -1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5173 4.0770 -1.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 3.0267 -0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8866 3.5234 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -5.2687 3.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -5.0165 5.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -6.2510 6.1505 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3389 -7.5424 5.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -6.4036 6.9407 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -5.8918 7.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -5.0442 6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -4.7189 8.0579 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4219 -4.0769 9.1633 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2196 -3.8237 7.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -2.7046 8.1152 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -4.2159 6.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 -4.2232 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -5.9090 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -5.6273 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5714 -5.2437 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -3.7893 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 -6.6151 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -5.5218 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1751 -3.3663 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -2.9430 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -3.4280 -4.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 -1.6894 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0428 -1.1631 -2.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -1.4312 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 0.2349 -2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 0.5705 -3.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 1.9841 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 1.1035 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 3.4006 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 4.0453 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 3.3077 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 1.6882 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 3.1842 4.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 1.1249 5.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 -0.1209 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 -0.7653 3.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -0.2046 3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 -1.0248 4.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6202 -2.9971 3.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 -2.2117 1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -3.2186 3.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -4.4024 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 -5.1596 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 -0.7647 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 -1.6988 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2731 -2.1747 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -0.9710 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 -0.4599 -3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 0.1610 -3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 1.5020 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 0.9200 -1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 2.4955 -3.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 1.8063 -3.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 3.0600 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 3.7660 -1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 3.9336 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 4.6434 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 6.2450 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 6.2875 -3.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 4.4683 -3.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 4.6236 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 6.9183 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 7.2757 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 4.9949 -3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 6.4175 -4.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 4.3476 -4.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 4.0266 -2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9488 6.1959 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 6.3157 -3.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4173 4.0284 -3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 3.8975 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3921 5.6928 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9403 5.8633 -2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5182 4.4655 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6641 3.5438 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8766 2.2037 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1735 2.5041 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8584 3.6576 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3146 4.4662 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3598 2.7055 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 -5.4458 3.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -6.2016 3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -5.4845 7.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 -4.1132 6.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -5.4221 6.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5847 -5.6391 8.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1127 -3.6923 9.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 -3.2654 8.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7563 -4.7553 5.7442 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 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 2 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 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 2 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 1 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 52131 1 0 54132 1 0 54133 1 0 55134 1 1 56135 1 0 56136 1 0 59137 1 0 M END