HMDB0055421 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 5.4200 3.2072 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 3.5252 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8225 2.2544 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 1.9321 -2.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 2.8290 -2.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 3.2466 -4.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2295 2.9987 -5.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0305 2.1646 -4.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 3.0614 -5.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9243 3.2171 -4.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 2.5994 -3.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.7178 -2.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 3.9983 -1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 3.1943 -1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 4.0766 -1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 4.3119 -1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 3.7158 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 3.0107 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4711 1.7718 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 0.7247 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9153 0.1721 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1146 -0.9223 2.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -2.1066 2.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 -0.8505 3.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -1.8124 3.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -3.0404 3.0287 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2998 -2.8502 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -2.0040 2.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 -1.7889 1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 -2.3801 0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 -0.9567 1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -1.6281 2.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -2.0573 3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 -0.8755 4.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 -1.3350 5.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 -1.2135 6.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -0.5394 6.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 0.6099 7.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 1.8184 6.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 2.1677 5.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 2.7352 4.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 3.9178 4.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 4.8379 3.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2091 6.1234 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 6.6797 5.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 6.0890 5.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 6.0595 7.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -3.8549 2.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -5.1118 3.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -5.5339 4.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 -6.0329 2.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 -5.5724 1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -5.3939 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2942 -4.9180 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 -4.7126 -1.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -3.7289 -2.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0183 -2.3482 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 -1.7384 -2.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 -0.6174 -2.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 0.1913 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 0.3516 -4.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 -0.9776 -5.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -0.8216 -6.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 -0.1272 -7.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 -0.0278 -8.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 -1.3616 -9.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 -2.2347 -9.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1576 2.4103 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 2.9934 1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 4.1194 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4145 4.3323 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 3.8190 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 1.4626 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 0.8763 -2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 2.3784 -2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 3.7294 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9626 3.9467 -4.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 3.4889 -6.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 1.4134 -5.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 1.6747 -4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 3.5598 -6.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 3.8984 -4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 1.9569 -2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 1.9436 -3.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 4.3805 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 4.8353 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 2.6821 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 2.4303 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 4.5449 -2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 4.9949 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0622 4.6010 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 3.0604 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0999 3.6336 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5291 1.4166 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 1.2014 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -0.0478 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0259 1.0261 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 -0.1805 2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0546 -1.3234 4.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -2.1626 4.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 -3.6803 3.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 -3.8469 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1778 -2.5185 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -0.0293 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.5714 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 -1.0109 2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 -2.5696 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -2.5152 4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 -2.8137 3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 -0.2677 4.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -0.2202 4.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 -1.8563 6.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0378 -1.6051 7.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 -1.3082 6.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -0.3950 5.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 0.3930 8.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 2.6407 7.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 2.9687 5.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 1.3910 4.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 2.1122 4.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 4.2162 3.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 5.1325 2.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 4.3445 3.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 6.7831 4.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 7.7166 5.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 6.8058 5.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 5.0942 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 7.1143 7.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 5.6088 8.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 5.4725 7.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 -7.0207 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 -6.2053 3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 -4.6309 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 -6.3141 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -4.7163 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 -6.4007 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -5.7564 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -4.0538 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -4.3756 -2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -5.6931 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.0679 -1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 -3.6239 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 -1.7041 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -2.5110 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1491 -2.2330 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0218 -0.2384 -3.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.2458 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0059 -0.1191 -2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 0.9173 -5.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 0.9593 -4.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2504 -1.5608 -5.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -1.5451 -4.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -0.3223 -6.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -1.8472 -7.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1138 0.9178 -7.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 -0.6907 -7.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 0.4991 -9.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 0.5392 -9.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 -1.8772 -9.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 -1.1867 -10.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 -1.6251 -9.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -3.1404 -9.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -2.5825 -10.6772 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 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 2 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 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 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