HMDB0264287 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/18:3(9Z,12Z,15Z)) 120120 0 0 0 0 0 0 0 0999 V2000 15.2686 2.5888 -5.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0764 1.6613 -5.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6171 0.4277 -4.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3654 -0.0452 -3.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 0.6502 -2.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2309 1.0031 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8836 0.5328 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7573 -0.3597 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8119 0.3319 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5522 0.6046 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9006 0.2405 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 -0.6835 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 -0.0163 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 1.2405 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3577 1.0143 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 0.0349 -0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 0.5559 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 -0.4742 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -1.5499 -0.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -0.2550 1.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -1.1915 1.5528 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1579 -0.5828 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 -1.5548 1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 -1.5104 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -0.4409 1.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -2.6693 2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3072 -3.0400 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -2.0574 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 -2.2956 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1518 -3.5156 1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9460 -3.5809 2.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 -2.7024 3.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3282 -1.2315 3.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7528 -0.7500 3.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4185 0.0106 2.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2116 0.7182 1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0174 0.7693 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8046 0.3771 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7153 -0.2325 -1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1073 -0.5455 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8721 -1.1978 -2.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3044 0.0157 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3565 1.1354 -2.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7539 1.4372 -2.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3174 2.5874 -2.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5914 3.7682 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6731 4.9005 -3.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 -1.6231 3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -0.5144 3.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -0.9734 5.4487 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6026 0.0748 6.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.2132 6.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -2.4362 5.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8982 3.6036 -5.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9039 2.5909 -4.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8620 2.1679 -6.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5576 1.4739 -6.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4388 2.2729 -4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2961 -0.1554 -5.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7999 -0.9865 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6066 -0.0214 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9875 1.5645 -2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1094 1.6735 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5059 0.8446 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2162 -1.1762 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3337 -0.9182 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1962 0.6541 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 1.1314 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5513 -0.2838 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 1.1160 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 -1.0039 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0755 -1.5767 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8844 -0.7858 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 0.1771 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 1.7089 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9182 1.9596 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 1.9550 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 0.5917 -2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 -0.0124 -1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 -0.9746 -0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 0.6263 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 1.5373 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 -2.0938 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 -0.2595 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 0.3259 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 -2.5383 3.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -3.5505 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -4.0785 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6586 -3.1109 0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0112 -1.0706 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2609 -1.4898 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8067 -4.0211 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 -4.3335 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2206 -4.6697 2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0032 -3.0623 4.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8253 -0.8784 4.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9181 -0.7620 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2393 -1.1637 4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5042 0.1745 3.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1383 0.6466 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3783 1.8691 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 1.2128 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7322 0.5451 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7320 0.4369 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2116 -1.1683 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1716 -1.3361 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2416 -0.0999 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9246 0.7411 -3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7204 1.9341 -2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3956 0.6085 -3.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4096 2.7494 -2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5896 3.6384 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1840 4.1877 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9494 5.7043 -2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6888 5.3741 -3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 4.5029 -4.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -2.3696 3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -2.0894 3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 -1.9909 5.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 -2.2633 4.8820 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 42 40 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 6 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 52119 1 0 53120 1 0 M END