HMDB0112844 RDKit 3D PS(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) 138137 0 0 0 0 0 0 0 0999 V2000 0.9235 -0.2574 5.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 0.0650 5.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 -0.3804 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 0.3832 4.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 1.7850 4.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 2.8314 3.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 2.7853 2.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 1.5306 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 1.3029 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2475 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 1.4287 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 2.6351 -2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 2.6504 -3.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 1.4393 -4.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 1.5965 -4.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 1.5283 -5.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 1.2986 -6.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 0.1126 -7.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 -1.2349 -7.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -1.4915 -6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -2.8983 -5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -3.3244 -4.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 -3.8620 -5.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4016 -3.1487 -3.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 -3.6143 -2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 -3.3061 -1.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2669 -4.0306 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 -3.7615 1.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 -4.6277 2.1106 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7864 -6.1113 2.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -4.0996 3.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -4.3689 1.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 -5.4190 0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -5.1614 0.4894 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0697 -6.2973 -0.2982 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 -5.0662 1.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -5.8989 1.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2563 -4.0530 2.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -3.7594 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -2.9617 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8132 -1.7618 -0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -3.5395 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6202 -4.5198 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 -4.1838 2.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -3.7426 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -3.5947 4.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -2.5878 4.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 -1.1416 4.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -0.2184 4.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 1.2152 4.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 1.9447 3.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 1.9581 2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 2.8978 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0037 3.0169 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 4.0351 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 4.1873 -1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 5.2391 -2.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 4.9646 -2.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 0.1607 4.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 0.0635 6.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -1.3770 5.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -0.5637 6.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 1.1160 6.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 -1.4511 4.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 -0.1728 3.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.9361 4.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 2.0962 5.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2919 3.8844 3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 3.7255 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 1.7930 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9861 0.6444 2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9161 1.1656 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 1.0717 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 0.4992 -1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 1.4668 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 3.5718 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3588 3.6048 -3.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 1.2223 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 0.5261 -3.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 1.7679 -3.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 1.6623 -5.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 1.3935 -6.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 2.2342 -7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 0.0683 -8.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 0.2630 -8.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 -1.9678 -7.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 -1.5420 -6.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.3187 -6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 -0.7562 -5.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3788 -3.1118 -5.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -3.5948 -6.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 -3.1085 -2.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 -4.7034 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 -2.2496 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 -3.5978 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -5.1037 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 -3.1511 3.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 -6.3586 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 -5.5733 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -4.2106 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 -7.0671 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 -6.0654 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3467 -4.1343 3.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6595 -3.9629 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -2.7227 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7243 -4.8451 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -5.5226 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -5.0841 2.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 -3.3683 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 -4.5585 2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -2.7971 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 -4.5883 4.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -3.2565 4.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2534 -2.7905 4.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 -2.6672 5.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8493 -0.9362 5.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -1.1016 3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -0.5148 6.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 -0.5431 4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 1.4262 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 1.8078 5.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 3.0451 4.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 1.7400 3.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 2.3729 2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 0.9903 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 3.8972 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 2.4597 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 2.0658 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 3.4024 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 3.6565 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 5.0208 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 4.4293 -1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 3.2457 -2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 6.2515 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 5.3923 -3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 4.7969 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 5.8811 -3.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 4.1419 -3.6785 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 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 56 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 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 16 81 1 0 17 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 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 6 35101 1 0 35102 1 0 38103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M END