HMDB0116503 RDKit 3D PGP(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 145144 0 0 0 0 0 0 0 0999 V2000 6.7319 -3.8145 -4.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8662 -2.7858 -2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -1.9190 -2.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -1.8155 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -2.6132 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 -3.4922 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -3.4481 0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 -2.4865 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 -1.6042 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -1.6142 3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 -2.3873 4.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -1.7133 5.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.4833 5.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 0.7069 5.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 1.4466 5.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 1.7259 4.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 1.3934 2.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 2.7294 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 2.4346 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 3.7555 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 3.7545 -1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 3.1614 -2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 3.3373 -3.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 2.4519 -1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 1.8980 -2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 3.0552 -2.5029 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7559 3.9676 -1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 4.4060 -0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 5.3820 0.5946 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1639 6.0790 0.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 6.4184 0.8245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 4.2944 1.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 4.2828 2.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 3.2899 3.4662 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7193 3.6594 4.5092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 3.1286 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 2.1513 4.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 1.8568 5.3240 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7432 1.7224 6.8449 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 0.3949 4.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7476 3.0698 4.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.6201 -3.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 2.7810 -4.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4264 3.3419 -5.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 2.2918 -4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 0.7677 -4.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 0.1683 -5.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -1.3124 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 -1.9612 -4.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -3.4254 -4.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -4.1390 -4.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 -3.5673 -3.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -4.3416 -2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -4.0135 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -2.6512 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 -2.8300 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 -2.3962 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -1.5334 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 -2.2570 -1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 -1.8844 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2073 -0.7592 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 0.2793 -1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5826 1.5276 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4507 2.1563 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 2.8154 -1.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 -3.9038 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 -3.5528 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5872 -4.8174 -3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2598 -3.2488 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 -2.1189 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 -1.3084 -3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -1.1329 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.8794 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1057 -3.2056 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 -4.2482 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -4.1312 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -1.7827 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -2.9631 2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -0.9635 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 -0.9695 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -3.2860 4.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 -2.9271 4.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -2.4522 6.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 -0.2840 7.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 0.6304 4.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 1.4040 5.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 1.7661 6.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 2.2794 4.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 0.7100 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 0.9146 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 3.3267 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 3.2755 1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 1.9063 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7966 1.8218 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9532 4.2276 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 4.4268 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 4.8317 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 3.2782 -2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 1.3321 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 1.2624 -2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 3.5733 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 3.3740 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 4.8191 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 7.2076 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 5.2915 2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 4.1830 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 2.2650 3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 2.9170 4.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5503 2.8674 2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 4.0874 4.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1706 0.3526 4.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 2.7121 4.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3691 2.7148 -4.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 2.5810 -5.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 0.4767 -5.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 0.3641 -3.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 0.5763 -6.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 0.4416 -5.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -1.7294 -6.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 -1.7348 -6.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -1.6828 -3.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 -1.4954 -3.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2489 -3.9209 -4.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 -5.2414 -4.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -3.6410 -3.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 -2.4997 -3.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -5.4153 -2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 -4.7773 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 -2.2834 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 -2.0518 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 -3.4732 1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -2.6572 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -1.3308 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -0.5892 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 -3.1564 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4536 -2.5010 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 -0.3088 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0156 -1.2201 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8032 -0.0083 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1861 2.2564 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8832 2.9842 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8474 1.5155 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 3.3043 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 1.9987 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 3.5891 -1.8434 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 33105 1 0 33106 1 0 34107 1 6 35108 1 0 36109 1 0 36110 1 0 40111 1 0 41112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 60136 1 0 61137 1 0 61138 1 0 62139 1 0 63140 1 0 64141 1 0 64142 1 0 65143 1 0 65144 1 0 65145 1 0 M END