HMDB0008624 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -7.4941 1.0552 -3.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0688 0.6204 -4.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5554 0.6225 -5.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 -0.3316 -4.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 -1.7112 -4.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5894 -2.6964 -4.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 -2.5893 -4.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4553 -3.4516 -3.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9317 -3.4046 -3.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -4.2906 -2.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -4.4751 -2.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 -3.3078 -2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 -2.4928 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -3.1747 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 -4.4081 0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -2.4565 1.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -3.1243 2.7088 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3119 -2.7680 3.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -3.1433 2.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -2.8485 3.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -2.2757 4.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 -3.1918 2.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -2.0508 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -0.7633 2.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3661 0.2887 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 1.6334 2.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 2.2400 2.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 3.4011 2.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3977 4.3189 1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2014 4.5377 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 4.2383 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 3.6413 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 2.3301 -2.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 1.4938 -2.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.5358 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4075 1.4126 -2.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 2.2533 -2.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 3.4889 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 3.4317 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 4.7332 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4688 4.8331 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 4.7313 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -2.6719 3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 -1.3137 3.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -0.8800 4.9372 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8266 -2.0800 5.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 -0.4675 6.4201 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7302 0.4498 4.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 0.7570 5.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 1.9215 4.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 1.7996 3.5349 N 0 0 0 0 0 4 0 0 0 0 0 0 8.0296 0.6001 3.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 1.8683 2.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 2.9131 3.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7636 0.1741 -2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 1.5932 -3.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4145 1.6933 -3.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4853 -0.3811 -5.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5163 1.3295 -5.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2137 1.6428 -4.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 0.4075 -6.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2858 0.0820 -3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 -0.1903 -4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5115 -1.8965 -4.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0599 -3.7041 -4.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 -1.6095 -4.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 -3.1330 -5.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 -3.1442 -2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -4.5119 -3.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -3.8143 -4.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.3550 -3.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -5.3147 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8777 -4.0211 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -5.0072 -3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 -5.2496 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -2.6843 -3.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -3.7084 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -1.6434 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -2.0139 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -4.2127 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -3.2420 4.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -1.6589 3.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 -4.0612 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1026 -3.4630 3.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 -2.3972 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -1.9616 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 -0.9568 3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 -0.5421 2.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2918 -0.0466 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 0.3796 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 2.2883 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 1.5428 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 1.6957 3.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 3.7922 3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 4.0270 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 5.3436 1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 5.0022 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1612 4.5212 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 4.3281 -2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1463 3.6486 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 2.0139 -2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 0.5339 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 0.5807 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 2.4038 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 0.5279 -2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 2.0416 -3.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 3.6807 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6464 4.3710 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 2.5524 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 3.2765 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 5.5531 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 4.7581 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 5.8495 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 4.1126 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 4.7301 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 5.6285 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 3.7778 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 -3.1973 4.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 -2.9268 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 -0.1566 5.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2496 1.0281 6.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9298 2.8160 4.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 2.1150 5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0498 0.7553 3.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 -0.2863 3.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2388 0.4788 2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 2.4113 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8213 2.3293 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 0.8182 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 2.8671 2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6246 3.8360 3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8847 2.8646 4.2971 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 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 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 6 18 81 1 0 18 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 47 -1 51 1 M END