HMDB0267228 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/a-25:0) 145144 0 0 0 0 0 0 0 0999 V2000 19.5112 1.7755 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9212 0.8098 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4052 1.0442 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8735 0.0631 -2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 0.1517 -2.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 -0.0942 -1.1691 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7944 0.7800 -0.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1431 -0.1955 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2762 -0.6187 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8733 -0.7190 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0075 -1.1297 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4995 -1.5098 1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2098 -2.9145 1.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5561 -3.4986 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -2.8907 3.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9687 -1.4972 3.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9374 -0.6975 4.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 -1.1052 3.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 -0.3786 2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -0.5325 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 0.2510 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 0.8296 0.8743 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9388 0.3995 -0.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 1.1781 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 0.4625 -1.7690 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9844 -0.7691 -2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3976 -0.2015 -3.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 -1.3008 -5.0901 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3136 -0.6435 -6.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 -2.4479 -4.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3575 -2.1595 -5.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 1.1808 -2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 1.2525 -1.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 0.6651 -0.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 1.9842 -2.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 1.9145 -1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 0.5378 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 0.5148 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 1.3749 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 1.3233 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 1.7636 1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 1.8033 2.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3513 0.4643 2.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 0.4740 3.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5509 1.4536 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3005 1.3211 1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0193 0.0271 1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7707 -0.0247 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8057 1.0862 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5823 1.0648 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3615 -0.1753 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -0.4663 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1652 -1.7274 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2041 -2.0589 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3121 -1.0957 0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1656 -1.7492 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2874 -0.9284 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7251 -0.4562 -1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5893 1.9637 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9779 2.7478 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3501 1.3567 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4059 0.9869 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1470 -0.2057 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0285 0.8242 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2728 2.0882 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1257 -0.9717 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4013 0.2186 -3.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1217 1.1436 -2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1494 -0.6683 -3.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8441 -1.1206 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9351 0.9872 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7782 0.0696 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6871 -0.8718 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 -0.4395 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9528 -1.2184 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9215 -0.7720 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5318 -1.3112 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6496 -3.5947 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4849 -4.6553 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8436 -3.3128 3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4038 -3.3925 4.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9538 -1.0159 4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1078 0.3721 4.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 -2.1775 3.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 -0.7157 4.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 0.7230 2.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 -0.5819 2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -1.5722 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 -0.0906 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0285 2.1834 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 1.1728 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 0.0383 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -1.2512 -2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 -1.3869 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 -2.0068 -3.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 -2.6069 -4.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 1.6634 -3.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 3.0633 -2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 2.4971 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 2.4633 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 -0.2145 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 0.1723 -2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.5419 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 0.8375 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0143 0.9905 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 2.4396 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 1.9093 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 0.2504 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 1.0298 1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 2.7478 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4033 2.1936 3.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4742 2.5286 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 0.1578 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6163 -0.3021 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8305 -0.5608 3.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9873 0.7681 4.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0704 2.4753 3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2346 1.4730 3.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6242 1.4942 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0295 2.1838 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8219 -0.0256 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3971 -0.8581 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2273 -1.0169 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1047 0.1336 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4163 1.0392 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2906 2.0918 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8589 1.1784 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3015 1.9199 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6710 -1.0705 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7974 -0.1208 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0562 0.4019 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8998 -0.5618 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3847 -2.5580 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4473 -1.7453 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6163 -3.1004 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6683 -2.1393 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0277 -0.1220 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5124 -2.0632 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8957 -0.9649 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6910 -2.5743 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0058 -0.1194 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9641 -1.8158 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4582 0.2291 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8397 0.1820 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5772 -1.2777 -2.5007 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 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 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 1 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 53 54 1 0 54 55 1 0 55 56 1 0 55 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 1 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 30 95 1 0 31 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 58145 1 0 M END