HMDB0273836 RDKit 3D PGP(20:4(8Z,11Z,14Z,17Z)/18:3(9,11,15)-OH(13)) 134133 0 0 0 0 0 0 0 0999 V2000 2.8246 1.8587 -5.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 1.9706 -4.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 2.9244 -3.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 2.6202 -2.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 1.1807 -2.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 0.6637 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 0.2267 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 0.1823 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 1.0138 1.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 0.5518 3.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -0.8423 3.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 -0.7757 4.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 -1.2738 5.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 -1.8663 5.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 -3.2491 6.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -4.2146 5.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 -5.6052 6.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 -6.2549 6.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -6.9123 4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 -6.2104 3.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -6.1198 3.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -5.5656 2.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -4.9107 1.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 -4.3189 0.5329 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1474 -3.5805 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -2.4550 1.8722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -1.8176 2.4964 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2052 -1.4943 1.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0374 -2.9572 3.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -0.4409 3.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 -0.4797 4.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 0.8480 5.3258 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5403 0.9075 6.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 2.0083 4.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0406 1.9765 4.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 3.3206 3.5978 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7108 4.0261 4.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 4.3933 3.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 2.7149 2.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -3.5942 -0.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 -3.9224 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 -4.9313 -2.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 -3.1398 -2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -3.6268 -4.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7757 -2.9383 -4.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 -1.4588 -5.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 -1.0269 -6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.4491 -6.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 1.2109 -4.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 2.6697 -5.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 3.3282 -4.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 4.7727 -5.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 5.4512 -4.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 6.9192 -4.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 7.2528 -6.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 7.5263 -4.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8874 6.9934 -4.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 6.3372 -4.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0406 5.7915 -4.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1503 6.4536 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 1.4653 -4.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 1.1520 -6.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 2.8423 -5.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 1.0032 -4.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 2.4704 -5.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 4.0009 -3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 3.3585 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 0.5557 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.2546 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 0.6797 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 -0.1259 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 -0.8260 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 0.6997 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 2.0685 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 1.2886 3.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 -1.5346 3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -1.2793 2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -0.3315 4.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 -1.2491 6.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -1.6424 5.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -1.2245 6.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -3.5682 6.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 -3.2987 7.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1234 -4.1072 4.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -3.9242 5.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -6.2277 5.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2717 -5.5277 7.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -5.5763 6.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -7.0583 6.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 -7.9222 4.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -7.2828 4.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -5.7016 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 -4.1612 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -5.2112 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -4.2823 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 -3.3203 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3544 -3.2273 4.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -1.2588 5.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 -0.6235 4.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 0.9810 5.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 1.4952 7.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 2.9422 5.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 2.0872 3.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 4.8847 2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 1.8739 2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -3.0265 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -2.0977 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 -4.7099 -4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -3.6017 -4.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -3.1630 -4.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -3.3557 -5.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 -0.9321 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 -1.1990 -5.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -1.5929 -6.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 -1.3275 -5.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6389 0.6593 -6.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 0.8438 -6.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 0.8275 -4.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3484 1.0029 -4.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 3.2891 -5.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 2.8176 -4.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 5.3082 -5.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3688 4.9983 -4.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5247 7.3746 -4.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 6.6878 -6.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 7.1925 -3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5685 8.6298 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1727 7.1104 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4631 6.2173 -3.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0346 4.6823 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0774 6.0609 -5.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8537 5.6846 -3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7653 7.0570 -2.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7297 7.1520 -4.4819 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 24 40 1 0 40 41 1 0 41 42 2 0 41 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 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 1 33101 1 0 34102 1 0 34103 1 0 38104 1 0 39105 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 51121 1 0 52122 1 0 53123 1 0 54124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 60134 1 0 M END