HMDB0261820 RDKit 3D PE(20:0/20:3(8Z,11Z,14Z)-O(5,6)) 138138 0 0 0 0 0 0 0 0999 V2000 -15.7928 2.9707 1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3822 1.7128 2.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0500 1.2706 1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0929 2.4069 1.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7222 2.1464 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8403 1.9117 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4383 0.7969 -0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8369 -0.3278 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5173 -0.5391 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4111 -0.4752 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3050 -0.1688 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6116 -1.3433 1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4502 -1.2405 2.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7439 0.0187 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4282 0.0294 1.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 -0.1345 0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 1.1600 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 1.7955 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 2.3953 1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 1.4656 2.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 0.4226 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -0.3836 2.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 0.2650 0.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -0.6008 -0.1048 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8325 0.2261 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -0.5127 -1.9073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 -1.4769 -1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8263 -1.8051 -0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -2.0869 -2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.2513 -4.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 0.1053 -4.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 -0.0419 -4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5392 1.3151 -4.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 1.9758 -2.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 1.3438 -1.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 1.0052 -1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -0.0153 -2.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1358 -0.2925 -1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5613 -0.8533 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3803 -0.1535 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 1.1996 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 1.8905 2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4696 1.0750 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9219 0.7687 3.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8298 1.9655 3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2518 1.4017 3.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2823 2.4876 3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.4612 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7909 -2.2477 -0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7475 -3.2499 -1.2683 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4118 -3.2301 -2.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3767 -2.8467 -0.9974 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 -4.8276 -0.6213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -5.7086 -1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -7.1311 -1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -7.3273 -0.6312 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.8885 2.9421 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3166 2.9601 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4390 3.8309 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0870 0.8718 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2030 1.9110 3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7401 0.3684 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2642 1.1159 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5262 3.3563 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9392 2.5652 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1494 1.4428 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1870 3.1431 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2810 2.7203 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5419 0.6471 -1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9494 -0.3501 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4556 -1.2391 -0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5240 -0.7736 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4347 -0.6436 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2542 -0.0113 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7688 0.7812 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1243 -2.2959 1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9376 -2.1521 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2854 0.9518 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3371 0.0083 3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -0.6056 2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2294 1.8490 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 2.7222 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 1.1813 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 3.1757 2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 2.9095 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 2.0819 3.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 1.0806 3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -1.2826 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 0.8807 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 0.9611 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.0609 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -2.2579 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 -1.7621 -5.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -1.0576 -4.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 0.7893 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 0.5747 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2244 -0.4791 -5.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 -0.7022 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 1.9597 -4.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5329 1.3686 -4.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1534 2.1756 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 3.0275 -2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 0.3971 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 2.0241 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 1.9482 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 0.6229 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 0.1710 -3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0922 -0.9734 -1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7649 0.6406 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 -1.0299 -2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 -1.0133 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1439 -1.9121 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4214 -0.1811 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0394 -0.7807 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1552 1.0065 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 1.8305 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2358 2.9363 2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7765 1.9205 2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2449 1.6040 4.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9003 0.1141 3.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2217 0.1751 4.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1219 0.1285 2.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7900 2.4944 4.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6893 2.5943 2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2818 0.8177 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4683 0.6860 3.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3634 2.9817 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0410 3.2802 3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2826 2.1064 3.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 -0.8174 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -2.1315 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 -3.6565 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8607 -5.5859 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1341 -5.5265 -2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -7.8486 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 -7.3108 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 -6.8999 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -8.2870 -0.6837 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 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 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 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 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 17 15 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 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 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 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 47129 1 0 48130 1 0 48131 1 0 52132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 M END