HMDB0269266 RDKit 3D PG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/18:2(9Z,12Z)) 133133 0 0 0 0 0 0 0 0999 V2000 15.2571 3.6581 -3.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3749 2.5125 -3.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9811 2.6452 -3.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9819 2.7540 -2.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0582 2.7653 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 1.6288 -0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2535 1.4679 0.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0476 1.6536 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2102 2.8324 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 3.7520 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2557 4.0535 2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 3.5428 3.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0513 4.6227 3.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 4.9349 3.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9912 4.2326 2.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 3.0906 1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 1.8674 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 1.4674 2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 0.5564 3.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -0.6743 3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 -1.3861 2.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 -2.5389 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -3.3131 1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -4.3845 1.8033 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 -2.9832 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -3.7341 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -3.9588 -0.1690 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3259 -4.9861 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -5.4296 -0.4672 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 -6.6317 -1.2837 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8166 -7.6008 -0.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -7.5672 -2.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 -6.0859 -2.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -7.0079 -2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8703 -6.5808 -2.8501 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6188 -6.3731 -4.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8715 -7.7434 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2933 -8.8675 -3.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -2.8655 0.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 -2.6524 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -3.5452 2.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -1.5389 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -1.7520 1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -1.8496 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 -2.1998 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 -1.4224 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 -1.4716 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8609 -0.6447 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6948 0.7786 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2978 1.4186 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1752 0.8615 -1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5592 1.2506 -1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2731 2.0625 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8212 2.8222 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9823 4.3319 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5432 5.1066 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7320 6.5972 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9389 7.1313 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6244 4.2636 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7707 4.2873 -4.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1688 3.2279 -4.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7480 1.5583 -3.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5275 2.3283 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7711 2.6552 -4.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9733 2.8510 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5297 3.7038 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0809 2.7281 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5659 0.6542 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 0.6714 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 2.4452 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 3.4243 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7747 4.2367 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8511 4.7753 3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2817 3.0903 4.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5796 2.6881 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 5.3471 4.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 5.8583 3.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 4.0470 2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7221 5.0445 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 3.3299 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5734 1.1042 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 1.0212 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 2.2973 3.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 0.9504 4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -1.3166 4.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -1.7786 3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -0.8107 2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -2.1238 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 -3.2198 2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -3.2950 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 -4.7183 -0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 -4.5488 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5604 -4.5129 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -5.8305 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -8.2062 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 -8.0176 -2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9514 -7.1142 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3663 -5.7268 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6606 -6.2498 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1013 -7.9223 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7354 -7.4505 -3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2008 -9.6285 -2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -0.5817 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -1.4351 2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 -2.5459 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -0.7288 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 -2.6204 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 -0.8924 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 -2.1699 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 -3.3158 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7602 -0.3627 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7067 -1.7836 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9621 -2.5423 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9395 -1.3015 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1301 -0.7415 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6912 -1.1524 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 1.3768 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0670 2.5049 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1598 -0.2782 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 0.9372 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1629 0.7826 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3694 2.2150 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9350 2.5368 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6589 2.6183 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0666 4.5462 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4136 4.7055 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1200 4.8245 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4844 4.9343 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8172 6.8178 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3761 7.0900 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5274 6.8705 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9139 6.7246 -0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9039 8.2389 -0.1613 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 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 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 8 6 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 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 1 28 93 1 0 28 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 35 98 1 1 36 99 1 0 37100 1 0 37101 1 0 38102 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 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 58133 1 0 M END