HMDB0266156 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:5(7Z,10Z,13Z,16Z,19Z)) 128128 0 0 0 0 0 0 0 0999 V2000 -5.9995 -3.9389 2.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1773 -5.2215 2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9493 -5.7617 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7618 -5.9184 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 -5.5599 1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6476 -6.7400 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -6.8607 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -5.7956 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -6.3421 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 -5.8756 -1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 -4.6461 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -3.7422 -2.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7254 -2.5668 -2.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 -1.8160 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -1.4388 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -1.7569 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -2.5558 1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 -1.8064 2.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 -2.6547 3.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 -2.8980 3.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -1.8082 3.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -0.5175 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 0.4285 3.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 -0.0965 1.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 1.2848 1.3142 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2587 1.9942 1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 3.3995 1.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 4.3138 1.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 3.8120 1.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 5.7138 1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 6.1163 2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 5.0700 2.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 4.5901 2.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 5.1527 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 5.5742 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 5.2870 1.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 4.4964 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 5.5134 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 6.1060 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 5.9421 -2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 5.7133 -3.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 4.7462 -4.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 3.5346 -4.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 2.3175 -4.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 1.0452 -4.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 1.4678 -5.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 0.5987 -5.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 -0.4559 -5.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 -1.7299 -5.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 -2.3241 -6.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -3.2582 -6.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 1.4074 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 2.7478 -0.4205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 2.8648 -2.0671 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2112 1.8322 -2.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 2.4842 -2.9873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 4.4216 -2.4798 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 -4.0622 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 -3.0579 2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 -3.7633 3.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -5.9695 3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 -5.1899 3.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -6.0621 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 -6.3149 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -5.0776 2.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 -4.8240 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 -7.5818 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 -7.7869 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -5.6656 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 -4.8477 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -7.2586 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 -6.3615 -2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -4.8707 -2.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 -4.1716 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5166 -4.2029 -3.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 -2.0487 -3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -2.2484 -0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0711 -0.8238 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -0.8141 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -1.3954 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -2.6855 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 -3.4619 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.8289 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -1.6852 3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 -3.5845 3.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -2.1191 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -3.7509 4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -3.3251 2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 -1.7068 4.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -2.1929 3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 1.7855 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 1.9262 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 1.6448 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1045 6.2997 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3639 6.0845 2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8865 6.2033 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 7.1276 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 4.6953 3.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 3.8002 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 4.4332 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 6.1142 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 6.1829 3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 5.6298 2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 3.6304 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 4.2360 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9649 5.7342 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 6.8373 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 5.0811 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2287 6.8769 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 6.5490 -3.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 4.7815 -5.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 3.5574 -3.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 3.4955 -4.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 2.3435 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 1.8546 -6.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 1.2550 -6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 0.1679 -6.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -0.1667 -4.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2258 -2.4331 -4.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 -2.9483 -7.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 -1.6631 -7.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 -4.0752 -5.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -2.6638 -5.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 -3.6417 -7.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 0.9999 -0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.9334 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 3.2314 -2.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 5.0308 -1.6800 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 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 2 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 46 44 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 56127 1 0 57128 1 0 M END