HMDB0299856 RDKit 3D DG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-19:0/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -15.6600 -1.3888 2.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7895 -1.2886 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7389 -1.1615 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0614 -1.0595 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1592 0.1758 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4750 0.2887 -2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1767 0.2710 -3.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1865 0.1413 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3303 1.3429 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1810 2.2429 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8545 2.1933 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1393 2.0636 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8729 1.8975 1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8662 1.7962 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5766 1.6377 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5617 1.5329 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8278 1.5820 -1.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 1.3547 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 1.4522 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 1.2889 2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -0.0257 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 -0.8754 1.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -0.3237 2.5464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -1.5081 2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -1.9325 1.0063 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9878 -3.2995 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 -3.7811 -0.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -1.1285 0.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -0.6185 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 -0.9224 -1.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 0.2437 -1.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 0.3158 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -1.0417 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 -0.8655 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 -2.2243 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -2.4809 1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 -1.9187 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5964 -0.5759 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 0.6413 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6004 0.7955 -0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8812 0.6863 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 1.5102 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6684 1.4225 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 2.1784 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 1.7551 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4191 1.3997 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9652 1.1762 -1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 -0.0288 -1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9297 -0.3942 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5559 -1.9974 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0910 -1.9769 2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1662 -0.3915 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1209 -2.1593 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4402 -2.0051 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3315 -0.2263 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5315 -1.9712 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8615 -0.9025 -2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5303 0.2760 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8932 1.0414 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0694 0.3933 -3.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7392 0.3599 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5550 -0.7709 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5953 -0.0261 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7291 1.5465 -2.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5145 3.1287 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4532 3.1838 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7033 1.4458 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8037 2.1194 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 1.8339 2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0073 1.8100 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3802 1.6019 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 2.1546 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.4051 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 2.4654 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 0.6563 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 2.0433 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 1.4456 3.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -1.5829 3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -2.3233 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 -2.1917 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 -3.2096 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 -3.9658 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 -3.6080 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 1.2973 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 -0.1377 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 1.0698 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 0.6680 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 -1.4489 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -1.8075 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 -0.3328 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -0.1724 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -2.9917 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -2.5218 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4181 -2.3218 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8931 -3.6507 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6513 -2.3833 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7672 -2.5647 2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7588 -0.5740 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 -0.3590 2.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7883 1.5199 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2236 0.9523 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 1.8122 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 0.1148 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7277 0.7230 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2540 -0.4085 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8289 1.4532 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7586 2.6462 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9283 1.8874 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7228 0.3698 0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7382 3.2725 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0333 2.4570 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9485 2.5597 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5721 0.8767 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0674 2.0948 -2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4669 2.0236 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2232 0.1861 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1011 1.2536 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3831 -0.0618 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7506 -0.7070 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 -0.3610 -1.0080 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 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 26 82 1 0 27 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 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END