HMDB0055695 RDKit 3D TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -6.2832 -5.3096 -4.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5961 -5.0417 -3.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 -6.0149 -2.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 -6.8634 -1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -7.0153 -2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 -6.7968 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -5.8811 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 -4.9218 -1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4016 -5.1491 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 -4.2885 -1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.9231 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -2.8147 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -1.9879 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -0.9986 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 -1.2689 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -1.5068 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0483 -1.5420 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 -0.5798 -2.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 0.4413 -3.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 0.8086 -3.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 0.8475 -4.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 1.2671 -4.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 1.2999 -5.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3937 1.6000 -3.6327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 1.9947 -3.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 2.3291 -2.3391 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3040 1.1176 -1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 1.6260 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 1.0487 1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 -0.1304 1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 1.7247 2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 2.3458 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 3.4892 2.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 4.1217 3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 4.2332 3.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 3.7839 2.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 5.1192 2.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 5.4217 2.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 4.7722 3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 3.4511 3.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 2.6078 3.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 2.9131 2.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4477 1.9353 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 2.3044 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 3.6732 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5109 3.6530 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 4.0068 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 4.5031 -3.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7846 5.9221 -3.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 2.6524 -2.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 3.6199 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 4.1091 -0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6198 4.0483 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6749 3.2773 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 1.9876 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3631 0.7266 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3419 0.1325 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -1.1930 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 -2.0010 1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 -3.2961 1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -4.3950 2.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -4.4895 3.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4618 -4.3699 4.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -3.0882 4.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -2.0117 5.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -0.7272 4.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 0.3390 5.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 -6.1168 -4.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -5.4963 -5.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8729 -4.3921 -5.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8928 -4.0073 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5283 -5.0970 -3.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1742 -6.0235 -2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 -7.5446 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7217 -8.1575 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -6.4806 -2.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 -7.4686 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -5.7713 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 -5.2332 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1341 -3.8959 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -6.1403 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -4.5331 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -2.1461 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -2.8322 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 -3.5280 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 -1.9857 2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -1.0322 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.0123 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -1.2775 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5121 -1.7125 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -2.5839 -2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 -1.5594 -2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9304 -0.7812 -2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 1.1063 -3.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 1.8752 -3.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 0.2343 -2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 -0.1532 -5.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9277 1.5648 -5.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 1.1927 -4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.8896 -4.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 3.0740 -1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 0.8161 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 0.3639 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9447 1.0606 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 2.5784 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 1.6129 3.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 2.8472 4.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 3.1402 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 4.2246 2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 4.5125 4.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 4.7182 4.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 3.3095 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 3.1041 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 5.8248 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 6.5139 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8498 5.4632 3.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4287 5.0248 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0318 3.0448 4.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6163 1.6092 3.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6402 3.9311 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 2.6813 2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 0.8784 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 1.5425 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 3.9453 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 4.4569 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 3.3147 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 3.9311 -2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 4.5295 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 3.8633 -4.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 5.9474 -3.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1133 6.6545 -3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2965 6.1716 -4.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 4.3119 -2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 5.1195 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5981 3.9538 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 3.2331 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 2.1505 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1947 1.7652 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9118 -0.0329 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 0.7152 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 0.8141 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3598 0.0665 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 -1.8661 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5872 -1.1652 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 -1.3986 2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7963 -2.1598 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -3.6882 0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 -2.9872 1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 -5.3861 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3408 -4.6755 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 -3.8707 4.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1745 -5.5522 4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -5.1079 3.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -4.8249 5.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -3.2181 4.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -2.7645 3.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 -1.7914 4.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 -2.3075 6.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -0.4648 3.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 -0.9006 5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 0.4594 5.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 -0.0372 6.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 1.2746 5.8615 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 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 2 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 27 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 49132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END