HMDB0112701 RDKit 3D PS(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) 136135 0 0 0 0 0 0 0 0999 V2000 7.2452 1.2826 2.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0646 0.8620 1.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 1.0622 2.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.8328 1.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 2.6344 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 2.2609 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 1.8171 -1.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2225 1.6200 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 2.4437 -3.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 3.4129 -3.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1668 3.7692 -2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 5.0940 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 6.2174 -2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 6.5172 -3.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 7.2352 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 6.9529 -2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 5.7986 -2.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 5.0207 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1318 3.9050 -2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 3.1245 -1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8665 3.6626 -1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 1.8912 -1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 1.1878 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 0.8660 -1.0313 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7073 0.1706 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 0.8745 0.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 -0.0294 1.8060 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5990 0.5467 1.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2455 -1.6552 1.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 0.0529 3.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.6868 4.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9536 -0.6813 5.5850 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6877 -1.2564 6.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0271 -1.4811 6.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2383 -1.2051 6.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7547 -2.5889 7.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 0.0319 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 0.3484 -3.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2489 1.4633 -3.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -0.5275 -4.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 -1.2747 -5.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 -2.1686 -3.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -3.2713 -3.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 -4.0680 -2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -5.1976 -1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 -5.4020 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 -4.4965 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8781 -5.1534 1.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -5.3044 2.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 -4.8496 3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 -3.8802 4.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 -2.6373 4.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -1.9919 3.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -1.5081 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -1.9388 3.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -2.9164 2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -2.3568 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -3.4868 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 -3.0388 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 -4.2276 -2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3124 0.5228 3.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 2.3123 2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1576 1.1462 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 1.3603 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1497 -0.2526 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 0.4941 3.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 1.8979 2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 2.7231 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 3.7386 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 2.3839 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 1.5627 -1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 1.6741 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 0.5049 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 2.2252 -4.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 3.9035 -4.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 3.0696 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 3.5075 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 5.1556 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 7.1387 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 5.6537 -3.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 7.2667 -3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 8.1736 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6449 7.6401 -1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 6.1875 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 5.0776 -3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 4.6406 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 5.7202 -1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 4.3740 -3.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 3.3031 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5816 1.8132 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 0.2532 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 1.7769 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3428 -0.8213 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -0.0311 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -2.2589 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -1.7423 3.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0281 -0.2067 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 0.3633 5.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -0.9113 6.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -2.3041 6.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5943 -3.4834 6.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.1206 -5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5824 -1.1751 -4.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4421 -0.5065 -5.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 -1.8582 -5.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -1.5216 -3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -2.5844 -4.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -2.9019 -3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 -3.9401 -4.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9275 -4.4965 -2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3519 -3.3484 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9433 -5.9649 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 -6.3058 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 -3.6757 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 -3.9580 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 -5.5455 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -5.7977 3.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 -5.8042 3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 -4.4228 2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -4.1976 5.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 -1.9744 5.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 -1.0308 2.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -2.5037 2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0979 -0.7559 4.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -1.5108 3.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 -3.7422 2.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 -3.4110 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2907 -2.0581 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6562 -1.5766 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -4.3280 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3886 -3.7988 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 -2.7109 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -2.2291 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1296 -4.2084 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -5.1407 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -4.2066 -2.7532 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 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 2 0 34 36 1 0 24 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 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 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 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 1 33 99 1 0 33100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 60136 1 0 M END