HMDB0268666 RDKit 3D PG(20:4(6E,8Z,11Z,14Z)-OH(5S)/16:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 6.2529 -4.2886 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 -5.2783 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 -6.1099 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 -7.1411 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -7.8924 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -8.9367 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -8.9444 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -7.9221 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -7.2954 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0427 -7.2774 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 -7.8707 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -7.1121 1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -5.8399 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3182 -4.8575 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -3.5535 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -2.5174 -0.3077 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3262 -1.6144 0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 -3.0829 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 -2.0544 -2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -1.1486 -2.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 -0.1710 -3.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -0.2546 -3.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 0.8031 -4.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 1.7115 -5.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.5519 -4.1501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2477 3.4937 -3.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 4.2369 -2.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 5.3146 -1.7149 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8000 6.5068 -1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 5.8964 -2.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 4.5695 -0.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 4.6043 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 3.9627 0.5948 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1119 4.6440 1.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9319 4.1701 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6591 3.6722 1.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 3.4424 -4.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 3.3719 -4.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 2.5074 -3.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 4.2129 -4.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 4.1623 -3.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1227 4.7119 -2.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 4.2659 -1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 5.0373 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 4.5234 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 5.2404 2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 4.8764 3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 4.3021 4.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 3.9229 4.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 2.4067 5.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 1.6973 3.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 0.2071 4.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.1878 5.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 0.2255 4.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -4.0401 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 -3.3804 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -4.7877 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 -5.9818 -0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0401 -4.7646 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 -5.4173 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 -6.6797 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -6.6950 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 -7.8128 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -7.2378 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -8.4623 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 -9.7440 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -9.7691 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 -7.1407 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 -8.4292 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -6.8041 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -6.8125 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 -8.5782 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 -8.6836 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -7.7701 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8022 -5.5268 1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 -5.0658 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3799 -3.3089 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 -1.9569 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 -0.9335 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -3.8482 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 -3.6501 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 -2.5839 -2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -1.4750 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -0.6742 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 -1.7608 -3.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 2.3423 -5.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 1.1070 -5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 1.9276 -3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6419 4.2357 -4.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 2.8807 -3.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4731 6.7446 -3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 5.6495 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9675 4.0031 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2407 2.8844 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6215 4.0618 2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2762 3.6496 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1022 5.2574 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0983 3.1087 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5576 3.7649 -5.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 5.2402 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 4.6975 -4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 3.0854 -3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 5.8590 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 4.5459 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 3.2141 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0357 4.4640 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 6.0932 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 4.7153 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 3.4522 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 4.7514 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 6.3312 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 5.1343 2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 5.1074 2.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4238 4.0922 4.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 4.1192 4.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 4.4173 5.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 2.0588 5.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 2.2194 5.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 1.9174 3.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 2.0307 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 -0.2931 3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -0.1590 4.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.1931 6.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -1.3080 5.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 -0.4775 4.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 1.2255 5.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 0.3337 3.5128 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 2 0 15 16 1 0 16 17 1 0 16 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 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 6 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 30 91 1 0 32 92 1 0 32 93 1 0 33 94 1 1 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 54127 1 0 M END