HMDB0300135 RDKit 3D DG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-20:0/0:0) 127126 0 0 0 0 0 0 0 0999 V2000 -14.2607 -3.3820 1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5144 -2.5500 2.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1614 -1.3128 2.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4229 -0.1260 2.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1050 0.0690 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2212 0.8392 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8812 2.0916 0.6015 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0326 0.0128 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5795 -0.0958 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4241 -0.9047 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9993 -0.9846 -3.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8679 -1.7532 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6956 -1.1340 -4.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3616 0.1079 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0864 1.2922 -3.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5247 2.3314 -3.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3983 2.3964 -2.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3728 1.3340 -2.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1425 1.7898 -3.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 1.7663 -2.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 1.3012 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 2.4331 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 1.7903 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 2.3205 1.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 0.6013 0.8507 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -0.2660 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 0.1158 2.5765 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6413 0.8719 3.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 2.2358 3.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 0.4601 1.8114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -0.2671 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 -1.3715 2.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9016 0.2692 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.7313 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 -0.1465 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 -0.9983 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0929 -1.5349 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8191 -0.5049 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6593 0.4255 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 -0.2482 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6745 -0.9926 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7464 -1.6914 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5103 -0.6970 -1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2135 0.3056 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2311 -0.3816 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9005 0.6922 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 0.1466 2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0711 -0.5565 1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8133 0.3157 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4626 1.5043 1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8694 -0.5136 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5563 -4.2681 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8494 -3.6859 2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4799 -2.7743 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0450 -3.1908 2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1992 -2.5238 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6451 -1.3808 3.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1265 0.7976 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9487 0.8069 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5974 -0.7741 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7726 1.0200 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9926 2.3947 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5323 -0.5203 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0808 0.4372 -2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8619 -1.4671 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6256 -0.4397 -3.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2598 -2.5964 -4.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4718 -2.3748 -2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8782 -1.8539 -4.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3785 0.2872 -4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0778 1.0442 -3.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4795 1.8150 -4.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2010 3.2319 -2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1447 3.2925 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0640 1.2679 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6904 0.3155 -2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 2.1721 -4.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 2.1424 -3.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4194 0.8105 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8173 0.5350 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 2.7732 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8234 3.2157 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 -0.5298 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -1.2712 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 -0.9509 2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 0.5788 4.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 0.5363 4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 2.5920 4.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 1.1981 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 0.5841 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -1.6408 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 -1.0135 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 0.2860 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 0.7661 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -0.5305 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7665 -1.8875 -1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 -2.1183 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5885 -2.2972 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -0.9733 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 0.0734 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2269 1.0637 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0919 1.1484 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2425 0.5618 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2966 -1.0100 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 -1.8138 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1066 -0.3120 1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 -2.3509 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1732 -2.3353 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8489 -0.2059 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3147 -1.2969 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4927 0.8880 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7053 1.0708 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6640 -1.0965 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9335 -0.9636 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1134 1.1522 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2849 1.5043 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4842 -0.5939 2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 0.9620 2.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 -0.9069 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7083 -1.4619 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 0.6520 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7699 1.3758 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8096 2.3953 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4161 1.7739 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4164 0.1841 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6351 -0.8737 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4459 -1.3438 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 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 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 M END