HMDB0264787 RDKit 3D PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/20:1(11Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -5.9330 -3.8936 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 -3.6440 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5145 -2.3739 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8657 -1.4071 -1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 -1.4696 -2.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3767 -1.2939 -3.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 -0.3208 -4.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 0.7019 -3.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 2.0481 -3.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 3.0187 -4.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 3.1114 -4.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5566 2.0072 -4.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 1.9724 -4.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 3.0114 -3.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 2.9278 -2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 4.0141 -1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 4.5036 -1.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 3.6840 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 2.5484 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 2.3160 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 1.2605 2.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 1.1297 3.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 0.3919 1.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 -0.5807 2.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -1.4408 1.3742 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1595 -0.4903 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 -1.2450 -0.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 -0.2393 -1.3968 P 0 0 0 0 0 5 0 0 0 0 0 0 10.1925 -0.0716 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1258 1.2775 -1.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9427 -1.0193 -2.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 -2.1966 0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5432 -3.5896 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 -4.1278 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -4.4569 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -3.7965 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -4.8934 -1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 -4.4467 -2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5246 -3.9131 -1.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -4.9736 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -4.7747 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 -3.8110 1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 -2.3705 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 -1.5224 2.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 -0.6473 2.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -0.3469 2.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 1.0897 1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 2.0485 2.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 3.4498 2.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 4.5271 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 4.8482 4.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 4.0470 5.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9742 2.8400 5.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6063 -2.9753 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 -4.6872 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9558 -4.1469 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 -3.8207 -1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5228 -4.5134 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -2.2423 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4467 -0.4932 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 -0.7444 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 -2.5068 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 -2.0360 -4.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 -0.1726 -5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 0.5239 -2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 0.5802 -3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 2.2160 -3.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4428 3.9904 -4.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 3.4998 -5.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 4.0204 -4.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 1.1492 -5.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 1.0816 -4.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 3.8980 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 2.0515 -2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 4.8900 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8344 5.3574 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 3.4418 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 4.5822 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 2.8329 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 1.6517 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 3.2831 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 2.0858 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -1.2461 2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2106 -0.0863 3.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 -2.1010 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 0.2261 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8733 0.0878 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 1.7948 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1548 -0.3480 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 -5.2675 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -5.0151 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 -3.0843 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -3.2500 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -5.1833 -2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 -5.7652 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -3.5650 -3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -5.2074 -3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -3.6229 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -3.0055 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -5.4733 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 -5.8437 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -5.8054 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 -4.6652 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -3.9209 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -4.0620 2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 -2.0355 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.1512 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 -1.6697 3.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 -0.0528 3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 -0.4337 2.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 -1.0077 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 1.3914 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6787 1.2587 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 1.9476 3.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 1.6578 3.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 3.5636 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 3.5752 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 4.4102 3.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 5.5273 2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5949 5.2388 3.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 5.8763 4.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 4.7216 6.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 3.7715 6.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 2.6788 4.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9342 2.8542 5.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4885 1.8827 5.5855 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 2 0 15 16 1 0 16 17 1 0 16 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 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 43 44 1 0 44 45 2 0 45 46 1 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 31 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END