HMDB0007718 RDKit 3D DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 16.1196 -1.0611 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3759 -1.8112 1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9855 -2.2327 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8664 -1.3201 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 -0.3531 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4467 0.7885 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0338 2.0135 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7648 2.4721 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 1.6181 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4595 1.5649 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 2.3966 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 3.3059 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1624 3.5553 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 2.9695 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 2.1031 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 1.6588 1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 1.9349 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3774 0.9166 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 -0.3466 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -1.0886 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.2001 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 -1.8213 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 -2.7973 1.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 -0.6051 1.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 -0.3637 2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.6885 0.9483 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3246 0.3170 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 0.0401 -1.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 -0.4654 1.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -1.4543 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -2.5281 0.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -1.2209 2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -2.3939 1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5012 -2.5683 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2064 -1.3459 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4187 -1.5748 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 -0.4050 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4795 -0.1789 -1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3845 -1.3595 -1.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7792 -1.1443 -1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3703 0.0330 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4755 0.0426 -2.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2699 -1.1364 -2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6387 -1.1766 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3126 -0.3508 -1.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8943 0.9185 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0702 0.8384 0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6192 2.1754 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7600 2.2025 2.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2397 1.9734 2.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7421 -1.2139 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1966 -1.4297 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1744 0.0174 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9676 -2.6910 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3310 -1.1141 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7063 -3.0917 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0494 -2.8600 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9188 -2.0173 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7245 -0.8369 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5474 -0.2608 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9099 -1.0502 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4782 0.7333 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7558 2.8395 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3770 3.1887 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9158 3.2711 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8859 0.9140 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8037 0.7878 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 1.6546 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7761 2.9123 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5382 3.8947 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3952 4.3724 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3129 3.9107 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3681 2.6151 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 1.7152 3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 0.9977 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 2.8906 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 2.3005 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 1.3032 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 -0.9685 -1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1179 -1.6798 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -0.5622 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 -2.8015 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -2.9470 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 0.7422 2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -0.8635 2.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -1.7081 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 1.3539 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 0.2047 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -0.7080 -1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 -1.1794 3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 -0.2671 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 -3.3091 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1853 -2.3683 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2055 -3.4251 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -2.7743 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 -0.4385 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1432 -1.1434 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0076 -2.4918 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4345 -1.6856 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -0.5140 -3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 0.5107 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 0.0826 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8863 0.7349 -2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4639 -1.5729 -3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9358 -2.2270 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2924 -2.0890 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6206 -0.9909 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8381 0.9933 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7919 1.0314 -3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3799 -1.2633 -4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7730 -2.0772 -2.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2633 -2.0980 -2.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3715 -0.6321 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8854 1.2503 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6599 1.7059 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1488 0.6976 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4570 -0.0074 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5575 2.3585 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2506 2.9685 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1359 1.4566 2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5131 3.1909 2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8468 2.5970 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4085 2.2579 3.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4612 0.8990 2.6044 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 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 2 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 26 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END