HMDB0054198 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/O-18:0) 166165 0 0 0 0 0 0 0 0999 V2000 -0.7067 2.6414 3.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 3.3962 2.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4319 4.1096 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 4.8785 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 5.5861 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 6.3322 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 6.1309 -2.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 5.1047 -3.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 5.8337 -4.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 5.6703 -5.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 4.7385 -6.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 3.8809 -7.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 2.6044 -7.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 1.8072 -6.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 0.9438 -7.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 -0.3517 -7.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -1.1961 -6.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -2.1445 -5.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 -3.0173 -4.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 -3.9912 -4.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -5.1325 -4.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -3.7035 -2.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -4.5838 -2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 -3.7870 -1.0138 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8708 -3.2465 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.0233 0.7786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -5.2187 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 -5.4300 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -4.5928 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 -4.8207 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 -4.0033 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6739 -2.5406 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7541 -1.6699 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 -1.7967 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 -0.8443 2.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3107 -0.8057 4.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6781 -2.1635 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9230 -2.1314 6.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 -1.6345 7.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 -2.2926 7.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 -2.4490 5.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3693 -3.1078 6.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -3.3449 5.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 -2.0990 4.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.2202 -0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -3.4990 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -2.4493 -0.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -3.7658 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 -2.3974 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -1.3911 1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 0.0589 1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9279 0.4161 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1501 1.2167 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 1.8814 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 3.3269 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0511 3.8276 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 3.1675 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 1.7326 -2.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 1.0333 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 1.5468 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 1.0410 -2.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 1.4153 -2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 0.9763 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 1.4903 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 1.5432 3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 2.9978 3.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 2.7417 4.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 2.6519 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 4.1121 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2174 4.7404 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9998 3.3254 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 5.6733 1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 4.2400 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 4.8409 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 6.3330 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 7.1247 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 6.7323 -3.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 4.4124 -2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 4.5430 -4.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 6.5706 -4.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 6.2821 -6.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 5.4385 -7.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 4.2435 -5.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 4.3637 -8.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 2.0045 -7.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6244 2.3587 -5.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 1.1745 -5.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 1.4522 -8.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -0.8879 -8.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -0.7545 -5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -1.9168 -7.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -1.4564 -5.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -2.7205 -6.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -3.5400 -5.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.3675 -4.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -5.5337 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -4.7763 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 -2.7904 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -3.0912 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 -2.2278 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -5.9422 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 -5.6593 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 -5.1806 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 -6.4835 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -3.5338 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -4.8882 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -4.5380 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -5.9038 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -4.1844 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8994 -4.2724 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 -2.2758 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -2.2986 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -0.6063 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7031 -1.8831 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -2.8417 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 -1.5484 2.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9553 -1.1643 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7577 0.1539 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 -0.3886 4.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1885 -0.1384 4.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 -2.9866 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7207 -2.3632 4.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9059 -1.6120 6.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1622 -3.2081 6.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6433 -0.5254 6.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3089 -1.5612 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 -3.3312 7.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9802 -1.7451 7.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -1.4828 5.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -3.1260 5.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 -2.4408 7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -4.0571 6.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 -4.1173 4.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 -3.7734 5.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 -1.6372 4.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -1.3905 5.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -2.4233 3.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -3.9468 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 -4.5600 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 -2.1819 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 -2.6035 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -1.5598 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 -1.5022 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5909 0.1634 2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9266 0.7047 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 0.0108 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 1.4232 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 1.3655 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.8798 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 4.0178 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 4.9588 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 3.6940 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 3.4677 -3.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.1788 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 -0.0744 -2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 2.6181 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 1.1066 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 1.4329 -3.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 -0.0689 -2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0455 2.4972 -2.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 0.9206 -3.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -0.1173 -1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 1.5138 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 2.0753 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 2.1098 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6254 0.6051 -1.4896 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 2 0 20 22 1 0 22 23 1 0 23 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 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 43 44 1 0 24 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 44137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 64166 1 0 M END