HMDB0052659 RDKit 3D TG(18:2(9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 0.9798 -0.4577 6.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -0.4489 7.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.9507 8.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -2.0075 8.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 -2.8064 9.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -4.1770 9.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -5.1001 8.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -4.9334 7.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 -5.2484 6.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 -4.4533 5.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 -3.0840 5.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 -3.0012 4.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -3.2983 3.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -2.2963 2.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -2.6252 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3431 -1.5974 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -1.7203 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -0.5110 -1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 0.2153 -2.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 -0.2723 -0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 0.7784 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 0.4366 1.1416 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0749 1.5597 1.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 2.5001 2.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 3.5609 2.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 4.0042 0.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 4.1921 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4409 5.0094 2.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 4.4448 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 3.9545 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 3.4324 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2913 3.1115 -1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 2.5007 -2.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 3.2663 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 2.7506 -2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 1.3360 -2.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8404 0.7808 -3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0381 0.3136 -2.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6976 0.2497 -1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0768 -1.1864 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9855 -2.1774 -1.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8952 -1.9960 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 -3.1397 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 -0.6499 0.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -1.9333 1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -2.1051 1.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0509 -3.1337 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 -4.2352 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -3.7229 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -3.5464 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -2.9597 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -2.8998 -4.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 -2.1614 -4.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 -0.7114 -3.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 0.1356 -5.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 1.5435 -4.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 2.5192 -4.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 2.3651 -4.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 2.7359 -3.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 3.7337 -3.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 4.5887 -4.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 4.5433 -5.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0306 5.4945 -6.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 5.4633 -6.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 6.4152 -8.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -1.4689 5.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 0.2194 5.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -0.1422 5.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -0.9837 8.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 0.6408 8.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 -0.3601 7.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 -2.2176 8.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -2.2690 9.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -2.6925 10.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.5379 9.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4709 -6.1583 8.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 -4.1145 7.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 -5.8340 7.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -6.2479 6.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 -4.7675 4.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 -2.8416 6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 -2.2843 5.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -3.6252 4.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 -1.9367 4.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 -3.1856 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -4.3121 2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -2.2017 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 -1.3019 2.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 -3.6140 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 -2.6648 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 -1.3888 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -0.6122 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.6080 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 -1.5849 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 0.6469 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 1.7523 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -0.0470 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 2.0718 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 1.1541 2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 4.7657 3.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 3.3626 3.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 5.4071 3.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 5.9674 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 5.2393 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 3.6367 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 4.6597 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 3.0139 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 4.2793 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 2.5989 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 2.5184 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 4.1118 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 2.5722 -3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 1.4380 -2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 4.3173 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5872 3.4126 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4349 1.3382 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 0.7893 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 0.7921 -4.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5795 -0.0634 -3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 0.7869 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1607 0.6246 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6316 -1.2949 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -1.4729 -2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3817 -3.2278 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -2.2540 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2913 -2.0892 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3529 -1.0714 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 -3.5878 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3861 -3.9723 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -2.8346 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8185 -2.8673 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -3.5119 1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 -5.1800 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -4.3256 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 -2.7615 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 -4.4200 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -4.5791 -2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 -2.9904 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -2.0020 -2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 -3.6769 -3.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -2.4800 -5.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 -3.9702 -4.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 -2.6870 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 -2.3539 -4.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1256 -0.4173 -3.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5329 -0.3496 -2.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5709 -0.1335 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2647 -0.1074 -5.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 1.7937 -4.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 3.5278 -4.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1632 2.9048 -5.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 1.2707 -5.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 2.1495 -2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 3.9540 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 5.6842 -4.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 4.5300 -5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 4.7681 -4.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 3.5227 -5.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 6.5120 -6.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 5.1691 -7.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 5.6540 -6.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5743 4.4320 -7.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8915 7.2493 -8.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 5.8899 -9.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 6.8860 -7.9437 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 1 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 2 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 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 1 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 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