HMDB0264903 RDKit 3D PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/20:2(11Z,14Z)) 128127 0 0 0 0 0 0 0 0999 V2000 17.5633 -3.1458 -2.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0711 -3.2724 -2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4387 -2.0364 -2.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8112 -1.2000 -1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6537 -1.4039 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2057 -1.4675 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 -0.6619 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1159 0.4484 1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6937 1.8108 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 2.2362 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0606 1.5191 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 1.4588 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 1.9636 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0834 2.7131 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 3.1926 2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 3.0501 1.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 3.3125 0.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2205 1.6722 2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 1.4904 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 0.5809 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -0.4202 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6712 -0.2770 -0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 -0.4666 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -1.6338 -1.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 0.5299 -1.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0523 0.8869 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1433 0.6039 0.0720 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1828 -0.8222 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 -1.6244 0.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 -3.2128 1.0422 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1408 -3.4277 2.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -3.6187 -0.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 -4.2532 0.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 1.2460 -0.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6312 2.2155 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 2.4407 1.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 3.0026 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 2.6004 1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 1.1909 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5957 0.9154 2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3656 -0.3219 1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3068 -0.5571 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 -0.5924 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0807 -0.8685 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1095 0.2410 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2194 0.0209 -2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4581 -0.1276 -2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8802 -0.0947 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5578 -1.3839 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7878 -1.4709 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6249 -0.2903 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8242 -0.3088 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6562 -1.5309 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8597 -1.5702 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7154 -0.3576 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0715 -4.0402 -2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9327 -2.2433 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6371 -3.0592 -3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0752 -3.4847 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6419 -4.1411 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5080 -1.8068 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3459 -0.2799 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0757 -2.3673 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2067 -0.5852 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6172 -2.2757 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4106 -0.8654 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 0.4307 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0357 0.2565 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1867 2.6141 1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7637 3.3895 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5021 0.5210 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3528 2.0932 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2003 0.8696 -1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7126 1.7783 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1139 2.9036 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 3.7545 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 3.7981 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 3.0974 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.7293 3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 0.9272 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 2.1940 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 0.5489 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0364 -0.5079 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5365 -1.4309 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -1.1267 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 0.6541 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 2.0022 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 0.4473 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 1.0339 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0494 -0.9328 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 -1.3058 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -4.2047 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -5.0387 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 4.0544 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 3.1088 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 2.5460 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8226 3.3013 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 0.4773 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7889 1.2381 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 0.8864 3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2578 1.8294 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 -0.4704 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6771 -1.2213 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2057 0.1187 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7865 -1.5817 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4626 0.3879 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -1.3614 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4905 -1.8461 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6515 -0.8304 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5496 1.1582 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3582 0.5630 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9724 -0.0201 -3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2741 -0.2862 -2.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0577 0.0885 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5660 0.7735 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0027 -2.3026 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2548 -2.4750 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0775 -0.4972 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1473 0.6666 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4474 0.5749 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5645 -0.1327 -1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0380 -1.5182 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1223 -2.4891 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4176 -2.4952 -1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5491 -1.5521 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7782 -0.6663 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5610 0.4405 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4849 0.0547 -0.0237 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 2 0 15 16 1 0 16 17 1 0 16 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 27 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 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 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 32 92 1 0 33 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 55128 1 0 M END