HMDB0053124 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/O-18:0) 166165 0 0 0 0 0 0 0 0999 V2000 9.4584 -4.6776 -5.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2799 -5.2787 -4.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4543 -6.1240 -3.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 -5.3189 -2.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -6.1914 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 -5.4446 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 -5.2507 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -5.7533 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9159 -4.9250 2.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 -3.6392 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2821 -2.7223 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2879 -1.9879 2.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1821 -0.7027 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 0.2171 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 1.1593 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 2.4516 0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 3.0719 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 3.7041 3.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 4.7607 2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 4.4362 2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 5.3639 2.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 3.2702 1.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 3.0047 0.9254 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0836 1.6398 1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 1.5609 2.6845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.2484 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 -0.3360 2.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -1.7594 2.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 -2.4129 2.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 -1.7252 2.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -2.4035 1.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -2.3257 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -2.9935 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.7966 -2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -3.3757 -3.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1519 -2.8833 -3.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 -3.5150 -4.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 -3.1345 -5.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4543 -1.6525 -5.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9077 -1.2068 -7.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4493 -1.5898 -7.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0164 -1.0588 -8.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 -1.4024 -8.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 3.0155 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 2.8277 -1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 2.7537 -2.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 2.8554 -3.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 2.5758 -3.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 2.7561 -2.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 1.7915 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 2.0232 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 3.3733 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 3.7282 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 2.6615 1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0864 2.7250 2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 2.6908 3.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0441 2.5855 4.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 3.5601 5.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1228 4.4015 6.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 4.5830 5.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 6.0641 5.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7621 6.7317 4.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 6.2226 3.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 7.0888 2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1766 -4.0328 -6.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 -5.4463 -6.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6858 -3.9766 -5.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8924 -4.5293 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 -5.9534 -4.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1334 -6.6053 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0218 -6.9523 -4.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7252 -4.9258 -3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7787 -4.4981 -2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 -6.8146 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0119 -6.9257 -2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -5.0007 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 -4.6954 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8904 -6.5416 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 -6.4811 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5406 -5.4836 2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6334 -3.1709 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1395 -1.9898 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -3.0942 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 -2.5998 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -0.2577 2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8328 0.6800 2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.3690 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 0.7568 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 3.0823 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 3.9655 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9141 2.4898 2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 4.1122 3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 2.8790 3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 5.1482 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 5.6810 2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 3.8141 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 1.4175 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.9317 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 0.3374 4.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -0.4000 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -0.4244 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 0.2845 2.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -2.3615 2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 -1.7109 3.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 -2.4793 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 -3.4534 2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2169 -0.6519 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -1.6898 3.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 -3.4936 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3853 -2.0003 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 -1.2422 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -2.7623 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -2.6048 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -4.0798 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -1.7103 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8337 -3.3357 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 -3.1041 -4.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6746 -4.4956 -2.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1892 -1.7967 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6079 -3.2563 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0415 -3.2323 -4.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9067 -4.6119 -4.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 -3.6183 -5.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1408 -3.5692 -6.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5453 -1.3594 -5.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8945 -1.0900 -4.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5021 -1.5487 -7.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9685 -0.0816 -7.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3913 -2.6900 -7.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 -1.1239 -6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 0.0565 -8.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 -1.4819 -9.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4046 -1.9397 -9.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -2.0075 -7.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 -0.4692 -8.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 2.2916 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 4.0340 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 3.2054 -4.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 1.5171 -3.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 3.8201 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 2.5991 -3.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.7718 -2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 1.9287 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 1.9084 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 1.1767 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 4.2153 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7871 4.7769 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 2.7954 2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 1.6434 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 2.8067 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2064 2.7556 4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 1.5487 5.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0845 2.4817 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9726 3.5785 6.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 5.0667 7.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 4.2705 6.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7035 4.0721 4.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 6.2361 4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 6.5956 6.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 6.7265 5.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 7.8280 4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 5.1786 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 6.3117 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 7.5918 3.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 7.7925 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 6.4495 2.1812 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 23 44 1 0 44 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 6 24 97 1 0 24 98 1 0 26 99 1 0 26100 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 43135 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