HMDB0050055 RDKit 3D TG(18:1(9Z)/20:2n6/18:4(6Z,9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -8.3530 2.2365 4.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0797 3.0525 4.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5551 4.2026 3.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1446 4.4357 2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1636 3.5998 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0501 4.5442 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 4.6975 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 4.0427 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9602 5.1164 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6589 5.3213 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 4.4173 -3.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 5.0081 -4.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 4.9226 -5.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 4.2076 -6.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9373 3.0973 -7.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 2.0274 -6.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 1.2669 -5.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2397 0.2210 -4.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 -0.9800 -4.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9917 0.6125 -3.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 -0.2112 -2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 0.6724 -1.0146 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4511 1.8130 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 1.5382 -1.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 0.9346 -2.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 0.5433 -3.3493 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 0.6264 -2.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 1.6820 -2.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 1.0276 -3.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 1.9975 -3.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 1.5108 -4.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 0.3622 -4.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5475 -1.0381 -4.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 -1.5104 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1057 -1.9497 -2.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 -2.0797 -1.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 -3.5579 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1008 -3.6673 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -5.0871 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 -6.0025 -1.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -5.7982 -2.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 -4.5832 -3.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -4.6738 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -0.0625 0.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -0.3143 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 0.0975 1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -1.0587 2.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 -1.9498 2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -2.6017 4.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 -1.5682 5.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -2.1165 6.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -2.6371 6.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 -3.1699 7.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -2.3015 8.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -1.0775 8.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -0.0335 7.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 0.4390 7.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 -0.0182 6.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 1.1801 7.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 1.7238 6.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 1.2527 5.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 0.8567 4.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 0.3583 3.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 1.3963 2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 0.8936 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 1.1857 5.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7737 2.6247 5.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1139 2.3831 4.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 3.3443 5.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4505 2.3564 4.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2847 4.9199 4.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5326 5.3066 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7691 2.7927 2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 3.2134 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 5.0753 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 5.3951 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 3.4862 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1704 3.2964 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6839 5.7798 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 6.1380 -3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 3.5592 -3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3262 3.9504 -4.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 5.5795 -3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 5.4215 -5.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 4.9438 -7.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 3.8046 -6.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 2.6209 -7.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 3.5758 -7.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 2.3689 -5.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 1.2756 -6.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 1.9558 -5.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 0.7733 -6.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 -0.9895 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5913 -0.8192 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 1.0979 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 2.5108 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 2.4156 -2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 -0.3199 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 0.3449 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 2.5802 -2.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6543 1.9788 -4.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 0.7550 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 0.1680 -3.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 2.9544 -3.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8306 2.3129 -4.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 2.3911 -4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 1.2121 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3719 0.5756 -5.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 0.3653 -5.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 -1.3763 -4.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9163 -1.6502 -5.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5326 -1.4495 -3.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9242 -2.2818 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -1.6335 -2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 -1.5770 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -4.1489 -2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -3.9075 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 -3.0199 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 -3.2454 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 -5.1377 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -5.5372 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -7.0537 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -6.1246 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 -6.6749 -3.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -5.9327 -2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 -3.6504 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3409 -4.4967 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -5.2150 -3.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -3.6487 -4.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -5.1379 -5.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2354 -0.2298 3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 -1.5923 2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4067 -1.3465 3.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9093 -2.6817 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 -3.3237 4.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -3.1312 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -0.7373 5.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -1.1016 5.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 -2.9173 7.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 -1.3038 7.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 -1.8786 6.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -3.5178 5.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -4.0811 8.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -3.6214 7.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0122 9.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -2.9519 9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6914 -1.3053 8.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -0.5642 9.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 0.3905 7.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.2358 6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 -0.8335 7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.3939 5.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2856 1.6018 8.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 2.5972 6.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2937 2.1811 4.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 0.5323 4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 0.0191 5.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4836 1.7149 5.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2175 0.0674 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -0.5779 3.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 1.6839 2.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4765 2.3188 2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.4753 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 0.1060 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5177 1.7347 0.3363 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 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 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END