HMDB0049911 RDKit 3D TG(18:1(9Z)/18:1(9Z)/22:2(13Z,16Z)) 177176 0 0 0 0 0 0 0 0999 V2000 1.1141 -2.8253 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 -3.2008 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -3.0008 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -3.3577 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -4.8389 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -5.1575 2.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 -5.6056 3.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 -5.9342 4.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -5.8560 3.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -4.9986 4.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -4.0589 5.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 -4.1152 6.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -3.6896 6.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -4.3892 5.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 -5.7916 6.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -6.6899 5.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7885 -6.5381 5.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 -5.6397 4.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -4.1841 4.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -3.5935 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 -2.1269 2.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -1.3670 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7651 -1.8509 0.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.0808 1.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7879 0.7495 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9884 2.0321 0.6107 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8358 2.8231 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 1.9320 -1.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 2.2978 -2.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 3.4888 -3.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 1.3234 -3.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9861 1.8941 -5.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 2.9743 -5.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 2.6674 -4.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 1.5853 -4.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 1.5178 -4.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 0.5167 -4.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -0.8455 -4.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 -1.6856 -5.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 -1.3286 -6.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 -2.1731 -7.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 -3.6251 -7.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 -3.9176 -8.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 -5.3714 -8.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -6.1688 -7.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 -5.7725 -6.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -5.8366 -7.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 2.8006 1.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6491 2.9206 2.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 2.2939 2.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 3.7833 4.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 5.1194 3.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 4.9444 4.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 6.2997 3.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 6.1889 4.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 5.2154 3.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 5.1652 3.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0802 4.1655 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9923 4.4272 1.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5525 5.7675 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 5.6848 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7606 6.9661 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6595 7.3831 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4192 8.6551 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5459 9.2578 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3497 9.6811 -2.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3638 8.6331 -2.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -2.6556 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -3.5956 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -1.8954 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 -2.6324 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -4.2699 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -3.6728 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 -1.9794 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 -2.7979 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -3.0971 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 -5.1635 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -5.3601 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 -4.9979 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9252 -5.7677 3.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -7.0646 4.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -5.5163 5.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -6.6058 3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 -5.1161 3.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -3.0182 5.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 -3.9341 5.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 -3.4237 7.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 -5.1302 7.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 -2.6019 6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6217 -3.6243 7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 -3.8369 6.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -4.0833 4.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -6.3496 6.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8276 -5.7998 7.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 -7.7196 6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -7.0283 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -7.6071 4.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 -6.3210 6.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -6.0825 3.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4629 -5.8814 3.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 -3.7336 4.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 -3.7776 4.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9617 -3.7266 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 -4.1067 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -1.7198 3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -1.9839 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 0.3026 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 1.0525 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9564 1.6318 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 3.6315 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 3.2934 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 0.7051 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2713 0.6230 -4.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 2.3577 -5.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 1.0870 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 3.2310 -6.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 3.9227 -4.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 3.6078 -4.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 2.4965 -3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 1.8804 -5.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 0.6066 -5.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 2.5675 -4.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 1.3847 -2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 0.7837 -5.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 0.5176 -3.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.2491 -3.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -2.6977 -5.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 -1.4763 -7.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -0.2736 -6.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3021 -1.9463 -6.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8154 -1.7549 -8.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -4.1144 -6.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 -4.0793 -7.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3764 -3.4691 -9.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -3.3802 -8.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 -5.7903 -8.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -5.4664 -9.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 -7.2303 -7.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -6.1827 -6.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -6.5401 -5.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -4.8063 -6.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 -6.7973 -7.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 -4.9614 -8.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 -5.6890 -6.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 3.3371 4.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 4.0331 3.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 5.7214 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 5.6490 3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 4.5302 5.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 4.2316 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 6.7107 2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 6.9678 4.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 7.2004 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 5.9693 5.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 5.3982 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 4.1942 3.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 4.7420 4.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 6.1408 3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.1057 2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 3.5564 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 5.9809 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 6.5658 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 5.4490 2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 4.8362 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 7.7907 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8250 6.8262 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 7.4115 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1633 6.5914 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4812 8.4588 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 9.4271 0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0941 8.5186 -2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2675 10.1443 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7866 10.4841 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 10.1865 -3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5055 8.6599 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7659 7.6018 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 8.7923 -3.6135 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 1 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 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 1 0 36 37 1 0 37 38 1 0 38 39 2 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 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 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 1 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 47144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END