HMDB0055378 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 0.8032 -0.3624 -5.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.4012 -6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 -1.5038 -5.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -1.3102 -6.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -0.9697 -8.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 0.1929 -8.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 1.2398 -8.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 1.7477 -7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 1.1950 -6.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 1.7011 -5.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 2.9450 -4.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 2.6527 -4.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 3.1844 -3.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 4.1435 -2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 5.4051 -2.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 5.9212 -1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 5.3981 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2388 5.0974 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 4.5422 2.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 4.1853 2.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 5.3739 3.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 4.9034 3.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 5.6941 3.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 3.6068 4.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 3.0938 4.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 1.6648 5.2834 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9052 1.1232 5.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -0.2346 5.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -0.9371 6.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 -0.3335 7.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1699 -2.4449 6.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 -2.8713 5.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5773 -4.3299 4.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 -4.6878 3.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 -3.8946 2.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 -4.3966 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 -5.8615 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -5.9393 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -6.3263 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -6.7272 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -8.0853 -1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6388 -8.3286 -2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 -7.4367 -3.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -6.0062 -3.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -5.3783 -4.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -5.9759 -5.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -5.6362 -5.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 0.8826 4.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 0.0648 4.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 0.0746 5.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -0.7580 3.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1918 -1.7457 3.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.2172 4.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8824 -0.3593 3.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 0.1466 4.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -0.9943 5.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1466 -0.4125 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0744 0.2962 4.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -0.4271 3.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3286 -1.1914 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4596 -0.6980 1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 0.3990 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 1.6825 1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 2.8006 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6896 4.0193 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1236 5.2331 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2868 6.4097 1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.5932 -6.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 -0.1801 -4.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -0.6927 -5.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 -2.3931 -6.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -1.2302 -7.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -1.7665 -4.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -1.5117 -6.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -1.8536 -8.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -1.2884 -8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 0.1751 -10.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 1.9859 -9.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 2.8445 -7.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 2.0530 -7.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 0.2689 -6.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 1.1730 -4.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 3.5241 -5.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 3.6292 -4.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 1.9665 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 2.9118 -2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8354 4.2645 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 3.7068 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 5.9011 -3.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 6.8674 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 6.2083 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 4.5222 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 6.0701 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 4.4209 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 5.2597 2.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 3.6617 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 3.7442 3.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 3.3935 2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 5.7770 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 6.1368 3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 3.7654 5.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 3.1327 4.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 1.5990 6.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4509 1.6528 6.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 1.3722 4.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 -2.7987 6.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 -2.8348 7.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 -2.2538 4.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 -2.5984 5.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -4.6572 4.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 -4.9614 5.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2145 -4.3584 3.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1645 -5.7613 3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 -2.8016 2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 -3.7589 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9899 -6.1654 0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 -6.4610 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -5.6618 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -6.3415 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 -6.0388 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -6.9221 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -8.9332 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3405 -9.4227 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -7.5522 -3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -7.8554 -4.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 -5.3778 -2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 -4.2802 -4.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -5.4828 -6.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -7.0533 -5.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 -4.5886 -5.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 -5.8275 -4.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 -6.2732 -6.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 -0.0596 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -1.3492 2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 -2.2953 3.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -2.5720 4.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 -0.7363 5.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 -2.1278 4.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3392 0.5454 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -0.9089 2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 0.8302 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 0.7661 5.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -1.6218 4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -1.5855 5.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7166 0.3019 6.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 -1.1637 6.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8534 0.7797 5.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 1.2401 4.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7735 0.1820 3.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3941 -1.2568 4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 -2.2151 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 -1.5193 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 -0.5154 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2301 -1.6227 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6925 0.1322 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 0.5884 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8036 1.6918 2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 2.0822 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7682 3.0001 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4661 2.5541 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 4.1730 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5427 3.7527 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3102 5.4929 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 5.0336 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0171 6.1489 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6415 7.3176 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 6.6163 2.0628 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 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 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 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 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 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END