HMDB0049749 RDKit 3D TG(18:1(9Z)/16:0/20:3n6) 165164 0 0 0 0 0 0 0 0999 V2000 8.4708 6.7750 2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0918 5.3810 2.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8504 5.4555 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4383 4.0604 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 4.2711 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 3.0388 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 2.6132 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 3.3239 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 3.6224 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 3.1659 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 2.3070 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 3.0512 1.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 2.6024 2.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 1.2857 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 1.4711 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4661 0.0524 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 0.0646 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 -1.2576 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3659 -2.3298 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3029 -2.8091 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0985 -2.8528 0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 -3.2041 1.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 -3.6441 2.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 -4.8873 2.6713 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0907 -4.9290 3.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -3.6921 4.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -3.3859 5.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -4.2939 5.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8737 -2.0453 5.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 -1.8757 6.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -0.4492 6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 -0.1100 7.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.7288 7.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 -0.5112 6.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -1.0057 4.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -2.4448 4.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -3.1790 3.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 -2.6769 3.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 -2.9368 1.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 -2.1831 1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -2.3449 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8487 -1.6029 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 -2.1148 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2931 -1.3271 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 -1.5068 -1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -4.8221 1.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -5.8742 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 -6.7975 0.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -6.0623 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 -5.3500 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 -3.8732 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 -3.3968 -1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -1.9072 -2.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 -1.3518 -3.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 0.1569 -3.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 0.7259 -4.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 2.2132 -4.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6763 2.8940 -5.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 2.7243 -6.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 3.2464 -5.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 3.0070 -5.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3779 3.5385 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1091 2.8269 -3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 7.5048 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0091 6.9963 3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 6.8046 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9311 4.9461 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 4.7898 3.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 6.0584 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 5.9216 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 3.4790 1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 3.5844 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 4.9562 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 4.8878 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 2.4174 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 1.6893 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 2.5902 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 4.2816 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 4.2649 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 3.4270 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.2971 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 2.2755 2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 4.0392 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 3.2568 2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 0.6030 2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 0.7370 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0178 1.8337 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 2.1611 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -0.4704 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5376 -0.3109 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2633 0.6959 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 0.6419 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8027 -1.1406 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 -1.5855 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6651 -3.2138 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2993 -2.0895 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -3.7448 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 -2.8526 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 -5.8094 2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 -5.8058 3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 -5.0133 4.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -1.3177 5.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -1.7699 4.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -1.9832 7.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.6139 5.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 -0.1401 4.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 0.1833 6.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.0340 6.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.2382 8.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -1.8183 7.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4044 -0.2792 8.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 0.6309 6.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 -0.8723 6.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 -0.6001 4.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -0.5150 4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -2.9289 5.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 -4.2854 3.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 -1.6625 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -3.3409 3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -4.0175 1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 -2.4877 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2761 -2.5497 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 -1.1220 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -3.4048 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 -1.8650 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 -1.7968 -1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6589 -0.5298 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1774 -3.1863 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0675 -2.0240 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2123 -0.2609 -0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 -1.7358 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 -0.7600 -2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 -2.5150 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4578 -1.3415 -2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 -5.9409 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -7.1763 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -5.8017 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 -5.6334 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 -3.3893 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 -3.5497 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -3.9097 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 -3.7002 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 -1.3958 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2598 -1.6808 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 -1.8020 -4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0832 -1.5160 -3.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 0.4509 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 0.5341 -2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 0.2678 -5.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 0.4427 -4.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 2.6943 -3.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 2.4015 -4.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 2.5844 -6.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 3.9932 -5.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 3.3356 -7.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 1.6738 -6.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9078 4.3680 -5.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7993 2.8805 -4.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6513 3.5587 -6.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6907 1.9392 -5.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2603 4.6242 -4.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 3.3609 -4.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6475 3.5113 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4329 1.9576 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0409 2.4435 -2.5763 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 1 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 2 0 27 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 2 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 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 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 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 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 34113 1 0 35114 1 0 35115 1 0 36116 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 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 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 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END