HMDB0268531 RDKit 3D PA(i-24:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 144143 0 0 0 0 0 0 0 0999 V2000 -17.3121 2.6917 2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4164 3.5973 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0348 2.8289 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5292 2.5444 -1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1803 2.9882 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2854 1.8674 -2.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1721 1.6294 -1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6436 2.4508 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4684 1.6661 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3165 1.5380 1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0816 2.1080 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9249 1.3271 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8067 0.0323 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8158 -0.9364 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5170 -2.2211 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2334 -2.7715 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7251 -2.2293 -0.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1908 -2.8069 1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9849 -3.3856 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -2.7517 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6642 -1.4055 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5755 -1.4289 2.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 -1.8368 1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -1.9005 2.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9702 -2.1567 0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -2.5204 0.1935 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1256 -1.6458 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.0589 -1.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -2.0377 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -1.6177 0.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 -2.5248 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6593 -2.2450 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7929 -0.7667 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 -0.4230 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 1.0757 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 1.7479 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 3.2129 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6199 4.0229 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 3.9565 -1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3929 2.6530 -2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 2.9407 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6634 3.6733 -2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 3.1740 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 1.9278 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4431 0.6396 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4338 -0.4942 -1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2280 -0.7087 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1391 -1.8532 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0892 -2.3382 0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 -1.6748 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3986 -0.3871 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0267 0.8622 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8834 -0.2181 2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 -3.9986 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 -4.1985 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 -5.8082 -1.8147 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2286 -5.8707 -3.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -6.6406 -0.9686 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -6.5953 -1.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5918 1.6523 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0373 3.0240 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2819 2.7175 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1037 4.4571 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4536 4.0435 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0549 2.4568 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0977 1.9514 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2809 3.5402 -2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8197 3.7502 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5507 1.1465 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5555 0.7549 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3670 3.2650 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7287 3.0092 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3532 1.1683 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3365 0.9603 2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6507 2.7788 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1847 2.9577 0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0078 1.9406 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7745 -0.2845 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8121 -0.6808 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3614 -2.8975 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3915 -3.8704 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -2.1715 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1212 -1.8583 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6056 -3.5191 2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0600 -4.4020 0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -3.2257 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5095 -0.8861 1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3095 -0.7214 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 -2.1642 3.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 -0.4367 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -2.4657 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -1.6695 -1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -0.6003 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -1.9769 -1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -3.6236 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 -2.6962 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 -2.7681 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 -0.3523 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -0.2300 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -0.7853 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 -0.8770 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 1.4454 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 1.3462 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 1.2411 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 1.5997 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 3.3714 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 3.5585 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 3.7547 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 5.1246 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6977 4.4232 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8426 4.7201 -2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7003 1.9685 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 2.1193 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8807 2.0945 -3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1536 3.6762 -3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4939 3.9290 -3.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2673 4.7354 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0655 3.9855 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5816 3.1354 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6713 1.7979 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9486 2.0664 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 0.3925 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8767 0.5780 -2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0992 -0.3243 -2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8441 -1.4292 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 0.2020 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4263 -1.0903 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4462 -2.7221 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 -1.6539 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4202 -3.4164 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4766 -2.6874 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8806 -2.4701 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0647 -1.6158 0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8039 -0.3929 2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8394 1.6536 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8524 0.7005 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1533 1.3329 1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1619 -1.2000 2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4678 -0.0147 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 0.5856 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 -4.2984 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 -4.6107 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -6.5858 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3448 -6.1361 -0.6945 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 26 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 52135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 58143 1 0 59144 1 0 M END