HMDB0296125 RDKit 3D DG(19:0/0:0/18:2(10E,12Z)+=O(9)) 118117 0 0 0 0 0 0 0 0999 V2000 -17.0661 1.0295 -2.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2605 1.9453 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6134 1.3067 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5293 0.2760 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8632 -0.9299 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9822 -2.0448 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7536 -2.1621 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 -1.2352 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6634 -1.5657 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8423 -0.6371 0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2871 0.4651 1.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4504 -1.0037 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7255 0.1184 1.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2799 -0.2042 2.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1584 -1.3177 3.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8067 -1.7692 3.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -0.8939 4.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 0.3173 3.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 0.0397 2.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 1.0294 1.6803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 -1.1999 1.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -1.6086 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 -1.3608 0.5044 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0803 -0.0195 0.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 -2.0617 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 -2.1290 -0.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -1.1461 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 0.0483 -0.9756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 -1.4239 -1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -0.9653 -2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 0.4947 -2.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 1.3482 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 1.0280 -2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 1.8658 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7308 1.6517 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2004 1.9858 -2.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6015 1.8466 -2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6892 2.5953 -2.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0294 2.4422 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4068 1.0221 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7897 1.0569 0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7688 1.4626 1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5421 0.6930 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -0.6713 2.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3008 -1.7481 1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7869 -2.0588 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6358 0.8275 -3.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0880 1.5032 -2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3507 0.0766 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5573 2.5768 -1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9914 2.7330 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1127 2.1119 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3998 0.9030 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2167 0.0325 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6838 0.8573 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2601 -0.6763 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8160 -1.3856 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4446 -2.9169 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2637 -3.1171 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1917 -0.2762 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3000 -2.5176 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9512 -1.2373 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3947 -1.9655 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2699 0.5289 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6516 0.9603 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7013 -0.3055 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 0.7628 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6621 -0.9793 4.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7690 -2.2127 2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 -2.2891 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -2.6947 4.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -0.5981 5.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -1.5240 4.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9886 1.1792 3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 0.6453 4.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0704 -2.7143 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -1.1351 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.8501 1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 0.3889 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 -3.1065 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 -1.5674 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -0.9467 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -2.5184 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 -1.3025 -2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6757 -1.5018 -3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5796 0.6975 -3.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.8096 -2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 2.3918 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 1.2095 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6403 -0.0357 -1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6245 1.2041 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0422 2.9543 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 1.6424 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9378 0.5813 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 2.2413 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 1.3001 -3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8434 3.0269 -2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8995 0.7326 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6229 1.9776 -4.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6574 3.7131 -2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6456 2.2939 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9607 3.0888 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 2.8878 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3182 0.7495 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 0.3040 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4069 0.1695 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 1.8964 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2942 1.5172 2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 2.5733 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 1.2956 2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 0.6744 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9238 -0.6792 3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5089 -1.0166 2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0692 -2.7035 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4069 -1.7026 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0079 -1.3658 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6358 -1.9886 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 -3.1011 0.4222 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 2 0 9 10 1 0 10 11 2 0 10 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 22 76 1 0 22 77 1 0 23 78 1 1 24 79 1 0 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 46118 1 0 M END