HMDB0112670 RDKit 3D PS(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -0.8804 0.8097 -4.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 0.2079 -5.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 0.0617 -6.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -1.0457 -7.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 -2.3634 -6.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4428 -2.9267 -7.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5364 -3.2231 -6.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 -3.0361 -5.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8411 -2.0839 -5.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9014 -2.3684 -4.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1249 -3.6766 -3.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2465 -3.3831 -2.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4283 -3.9087 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3467 -4.8117 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -4.3145 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 -4.0094 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3865 -3.5363 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -4.6053 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -4.1032 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 -2.9843 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 -2.7107 -1.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 -2.2291 -0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -1.1835 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 -0.4140 -0.9153 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3036 -1.3015 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -1.8941 -1.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 -2.8669 -1.7653 P 0 0 0 0 0 5 0 0 0 0 0 0 6.8277 -2.4603 -0.5159 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 -4.4871 -1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 -2.8135 -3.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1368 -4.0031 -3.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 -3.8518 -4.9145 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4502 -3.5891 -4.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -2.7456 -5.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 -2.7739 -6.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5377 -1.6806 -6.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 0.1771 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 1.5663 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 2.1829 -0.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 2.3542 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4797 1.7335 2.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 1.5321 1.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4172 2.7719 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 3.3673 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 2.9698 2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 1.7126 3.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 1.5333 4.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 2.6590 5.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 2.6211 6.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 3.6151 6.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 4.8581 5.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 6.0568 6.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 7.0402 6.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 7.0742 5.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 7.1277 5.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 8.3728 6.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3774 8.4365 7.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 8.4499 6.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 0.3837 -3.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 1.9103 -4.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 0.5524 -5.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9419 0.9722 -5.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 -0.7026 -4.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 1.0130 -7.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -0.9934 -8.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -2.3568 -5.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 -3.0984 -7.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 -3.0921 -8.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3726 -3.6305 -7.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 -4.0108 -4.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -2.5291 -4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -1.0882 -5.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6963 -1.5847 -4.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2085 -4.0154 -4.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4998 -4.4855 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0617 -2.7023 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -3.6488 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 -5.2492 -2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4836 -5.7169 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 -3.4825 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 -5.1678 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9043 -4.9655 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 -3.3257 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3514 -3.3992 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -2.5779 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -5.4924 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 -4.9131 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 -4.9581 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 -3.8849 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -1.6032 -2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 -0.5248 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 0.3257 -1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1291 -0.7091 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 -2.1260 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 -4.6303 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 -4.1832 -4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 -4.8646 -3.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1867 -4.8106 -5.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 -2.5816 -4.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -3.9614 -5.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -0.8167 -6.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 2.5192 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 3.3779 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 0.7397 2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.3530 3.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 0.8902 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 0.8762 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2356 3.3087 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 4.3538 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 2.9525 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 3.8220 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 0.7705 2.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 0.4916 4.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 2.3664 6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7264 3.6299 5.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 1.7328 6.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 3.5456 6.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 4.8671 4.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 4.8844 4.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 6.0733 7.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 7.8920 6.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 8.1119 4.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 6.3893 4.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 7.1127 4.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 6.2267 6.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 9.2652 5.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 8.3851 7.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 9.3631 7.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 7.5788 7.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3911 8.8334 6.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 7.4165 5.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 9.0564 5.2586 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 2 0 10 11 1 0 11 12 1 0 12 13 2 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 6 33 99 1 0 33100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 58132 1 0 M END