HMDB0007379 RDKit 3D DG(20:0/22:4(7Z,10Z,13Z,16Z)/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 5.1558 -2.8186 -4.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -1.9214 -5.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -0.4861 -5.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 -0.2740 -5.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 1.2368 -5.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 1.5666 -5.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 2.1191 -4.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 2.4805 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 3.9341 -2.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 4.4662 -1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 3.6801 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2973 4.0082 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 3.1434 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 1.6636 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 1.3935 -1.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 0.6086 -1.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 -0.1489 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -1.5692 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -2.7270 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 -3.1787 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -2.6646 1.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6574 -1.3263 1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8491 -0.4895 1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9235 -0.9067 3.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3208 0.4100 3.5125 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8288 0.3145 3.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5062 -0.3045 2.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6758 1.0621 4.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 1.0040 4.7059 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 1.5758 5.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 2.1465 6.6793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 1.6059 5.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 0.6515 5.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.7192 5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 2.0653 5.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 2.4950 3.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 1.5444 2.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 1.4911 3.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 0.6726 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -0.7856 2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 -1.4791 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 -2.9883 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -3.8479 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -3.5734 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -4.5234 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 -4.2964 -2.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 -4.4983 -3.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 -4.2276 -4.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 -4.3975 -5.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -4.1001 -6.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -3.6571 -5.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9975 -3.2943 -4.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 -2.2712 -3.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7939 -2.0067 -5.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 -2.3101 -6.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 0.1044 -6.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8136 -0.1324 -4.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 -0.5405 -6.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 -0.8579 -4.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 1.5194 -4.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 1.6677 -6.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 1.3393 -6.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 2.3403 -4.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 1.8704 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 2.1595 -2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 4.5520 -3.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 5.5811 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 2.6285 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 4.0841 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 5.0779 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 3.5019 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.1827 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 1.3601 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5672 1.9124 -2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 0.4434 -2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 0.1481 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 0.1782 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 -1.6806 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -1.7104 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6894 -2.9625 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 -3.6420 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6733 -4.3505 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6793 -3.2219 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 -3.3384 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -2.9486 2.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2709 0.9766 2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9437 -0.1621 4.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2395 1.3472 3.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4437 -0.0024 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0757 0.6056 5.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9647 2.1567 4.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 1.2440 7.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 2.6414 5.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 0.7812 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -0.3763 5.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.0601 4.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 0.4004 6.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.1151 5.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1974 2.8067 5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 3.4736 3.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 2.6367 3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 0.5613 2.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 1.8383 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 2.5618 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 1.2092 4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 1.0967 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8092 0.8791 2.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -1.2088 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -1.2533 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 -1.4025 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -1.2350 0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -3.1557 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 -3.2575 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 -3.7341 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -4.9089 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 -3.6910 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 -2.5440 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5547 -5.5500 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 -4.3444 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 -3.2926 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 -5.0499 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 -3.7616 -2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -5.5156 -3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 -3.2288 -4.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -5.0093 -4.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 -5.4886 -5.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 -3.7502 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -3.0212 -7.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -4.3304 -6.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -4.7456 -7.6890 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 1 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 25 28 1 0 28 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 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 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 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 6 26 87 1 0 26 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 50130 1 0 M END