HMDB0299455 RDKit 3D DG(18:2(9Z,11E)+=O(13)/0:0/i-17:0) 112111 0 0 0 0 0 0 0 0999 V2000 16.8001 -2.6322 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8492 -1.6476 -2.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4031 -2.0548 -2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 -1.0129 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0434 -1.3387 -2.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2965 -0.2414 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7609 0.6297 -2.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1908 -0.1735 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 0.8472 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3887 0.9484 1.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7495 1.9083 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0717 2.9904 1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6389 3.0303 1.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 1.7768 1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 1.3190 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 0.0253 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 0.2998 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 1.3631 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 1.6468 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 1.0432 2.1314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 2.5644 0.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 2.8120 1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 1.6832 1.7283 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4681 2.2432 2.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 1.1175 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 0.1277 0.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 0.2721 1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 1.4431 1.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 -0.8909 1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3163 -0.4965 2.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2821 0.4562 2.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1328 0.2027 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4961 -0.0700 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3916 -0.2712 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2297 -1.4720 -1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2025 -1.7735 -0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0571 -3.0062 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0240 -3.2957 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2668 -2.5873 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4087 -1.1471 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3500 -0.4539 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4396 1.0444 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3871 1.7276 -2.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6882 1.3463 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5235 -2.0534 -3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3305 -3.1816 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2141 -3.3363 -3.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9869 -0.6519 -3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -1.5750 -1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1962 -3.0788 -2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1759 -2.0154 -3.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7784 -0.0288 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7396 -1.0473 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8111 -2.2907 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8092 -1.3796 -3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6385 -0.9180 0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 1.5476 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 0.2003 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6786 1.9629 3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 2.9027 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6081 3.9370 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1182 3.8763 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 3.3762 3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 1.9556 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 0.9609 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.0435 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 2.0771 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -0.7010 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 -0.2435 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 0.4393 2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -0.6678 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 2.3082 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 1.0666 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 3.5798 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7101 3.3472 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.8933 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 2.8505 3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 1.9650 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 0.7402 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5132 -1.5422 2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 -1.5804 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0393 -0.1699 3.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 -1.4807 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 0.6545 2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8608 1.5006 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9919 -0.3968 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6721 1.2366 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7173 0.7222 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 -1.0120 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9939 0.6750 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6744 -0.2470 -2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7886 -1.4469 -2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6165 -2.4201 -1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 -2.1660 0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7536 -0.9661 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3705 -3.8947 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5196 -2.8458 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4269 -3.2877 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2303 -4.4608 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7598 -3.0579 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0783 -3.0146 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6445 -0.6288 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3923 -0.8842 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3251 -0.7478 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5024 -0.7047 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5582 1.2992 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1737 2.5066 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5346 0.9836 -2.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4259 2.2252 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4688 1.5380 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4633 0.5571 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1495 2.2480 -0.4673 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 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 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 23 76 1 1 24 77 1 0 25 78 1 0 25 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 M END