HMDB0265452 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(20)/21:0) 133132 0 0 0 0 0 0 0 0999 V2000 16.1114 -1.3344 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6220 -0.2294 1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6084 0.9445 1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6690 1.2883 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8868 2.3803 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4180 2.4104 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 2.4551 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1935 2.5210 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6367 1.3212 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9650 0.0343 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -1.1563 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0780 -1.6297 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9297 -0.7458 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4895 0.1401 0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 1.0857 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 0.2780 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 1.1207 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 1.9174 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 1.0086 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 0.0553 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 0.6653 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 1.9341 0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 0.0082 0.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 0.6464 -0.2292 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8212 0.2312 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 -1.1411 0.3185 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0627 -1.8892 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 -1.2604 1.4879 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 -3.3386 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -3.6329 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4536 -3.1339 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4437 -3.4277 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4823 -4.2097 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7616 -4.8491 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9078 -4.6417 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9152 -3.8337 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1402 -2.8607 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3851 -3.1761 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4035 -2.4042 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6164 -1.1460 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7375 -0.4553 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2057 0.7345 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4704 1.5113 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1529 2.8632 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4290 2.5010 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2464 3.6957 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4745 4.6227 1.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1356 3.9091 2.6977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 0.4953 -1.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 1.1473 -2.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 1.0110 -3.7465 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1897 1.9902 -4.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6901 -0.5448 -4.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 1.3027 -4.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3533 -2.3391 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0156 -1.3280 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6663 -1.3265 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5053 -0.5615 2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6175 0.0916 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6867 0.5025 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0326 1.7558 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5732 0.3341 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7692 1.5442 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2395 3.4031 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1755 2.4183 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 1.6295 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1152 3.3709 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9858 3.4204 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8835 1.6386 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7765 2.4988 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8784 3.4155 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0618 1.2744 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 1.4924 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 -0.1118 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6359 0.1162 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7518 -1.0882 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1111 -2.0788 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9202 -2.1517 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 -2.5462 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 -0.0761 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 -1.4254 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -0.6105 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3102 0.5728 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 1.8265 -0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 1.6204 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -0.2071 -1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 -0.5350 0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 0.5011 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 1.8660 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 2.5291 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 2.5991 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 1.6490 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 0.4469 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 -0.5786 2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -0.6690 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 1.7475 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 0.5189 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 0.7580 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1206 -3.7528 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -3.9000 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6935 -3.0338 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 -4.6896 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3112 -1.9864 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7095 -3.3135 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 -2.9978 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 -4.4364 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7724 -6.0245 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8422 -4.8190 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9691 -5.2992 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7023 -3.8604 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0334 -1.8159 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3124 -2.9157 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3899 -4.1514 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2642 -2.8080 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6523 -1.2169 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9960 -0.4106 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4582 -0.8921 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5276 1.2004 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9384 1.0288 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4278 1.8175 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4813 3.5120 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3968 3.3201 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0042 1.8315 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1698 1.8845 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2017 3.3608 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5316 4.1908 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5737 4.9588 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1289 5.4923 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1014 4.4800 3.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 1.0729 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -0.5378 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -1.2229 -3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 0.8367 -4.2249 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 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 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 54133 1 0 M END