HMDB0050476 RDKit 3D TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.6263 5.5630 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 6.3591 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 6.0827 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 6.9251 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 6.7505 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 5.3797 -1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 4.8856 -2.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 5.8017 -4.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 5.7433 -4.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 5.3997 -6.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 5.0535 -6.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 3.7524 -7.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 2.6940 -7.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 2.4903 -6.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 1.4350 -5.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 1.2425 -4.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 0.2943 -3.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 0.8910 -2.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 2.1398 -2.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 0.3075 -1.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.1595 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 0.4789 0.5024 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8693 0.0726 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -1.0228 0.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -1.4061 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1128 -0.7626 2.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 -2.5766 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 -3.8516 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -4.3417 2.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 -3.5224 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 -4.2831 4.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -3.5168 5.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -2.1767 6.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -1.5141 7.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 -0.1634 7.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -0.2312 8.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 0.4955 7.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 1.4570 6.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9936 1.2224 5.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 1.2384 6.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 1.1180 5.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 -0.0926 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6997 -0.0170 3.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 -1.2182 2.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -1.0160 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -0.5448 0.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -0.5138 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 0.5041 0.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -1.6628 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 -1.6973 -1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3516 -2.8202 -1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 -2.6313 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7886 -3.5748 -1.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8474 -4.9674 -1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7417 -5.9022 -1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1284 -7.3039 -1.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 -8.3867 -1.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 -8.2449 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 -8.2951 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 -8.4948 -3.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -7.4403 -4.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 -6.0659 -3.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -5.0979 -4.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 -3.6997 -4.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 -2.7544 -5.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 5.3434 2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2405 6.1912 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 4.6277 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1245 5.9650 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6092 7.4291 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 5.0199 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 6.3269 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 6.6346 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 7.9787 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 7.4654 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 7.0172 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 4.6222 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 3.8073 -3.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 6.8411 -3.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 5.4056 -4.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 6.0042 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 5.4554 -6.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 5.5185 -6.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2485 5.7733 -7.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 3.6806 -8.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 1.7988 -8.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 3.3167 -6.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 1.9309 -7.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 1.7885 -4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 0.4715 -6.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9573 2.1685 -4.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 0.7528 -5.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.7078 -4.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 0.1869 -3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 1.5889 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 2.0049 -0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 1.2688 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 0.9037 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 -0.2179 2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -2.5312 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 -2.4805 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -3.7636 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 -4.6714 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 -4.6482 3.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -5.3570 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -2.5673 3.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -3.3437 3.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -4.4959 5.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9128 -5.2478 4.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 -4.0891 6.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -3.2503 5.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -2.3632 6.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -1.5177 5.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -2.2140 8.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -1.4203 6.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 0.1541 8.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 0.5367 6.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -0.9369 9.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 0.3546 8.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 2.4443 7.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 1.7609 6.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 1.9702 4.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 0.2253 5.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 0.4595 7.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 2.2192 6.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4894 2.0597 4.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 1.1630 5.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 -1.0180 5.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 -0.1489 3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5974 0.9243 2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6202 -0.0499 4.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9963 -2.1515 3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 -1.3840 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5211 -1.9676 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 -0.2994 2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7148 -0.5381 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -1.3992 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 -2.5984 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -1.8168 -1.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9357 -0.7288 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -2.7929 -3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8921 -3.7502 -1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0565 -1.5857 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7501 -2.5770 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8513 -3.4785 -3.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7866 -3.0948 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9957 -5.0061 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8142 -5.4629 -1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8317 -5.6355 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5985 -5.9160 -2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 -7.2391 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0734 -7.5601 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1837 -8.7338 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 -9.3082 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6903 -8.0815 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -8.1723 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 -9.4464 -3.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 -8.7348 -3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8007 -7.4327 -3.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 -7.6691 -5.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 -6.1303 -4.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 -5.6918 -2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -5.4209 -5.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -5.1243 -4.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 -3.5647 -5.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -3.3233 -3.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -2.9653 -6.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 -2.9267 -5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5428 -1.7244 -5.2192 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 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 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 22 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 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 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 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 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 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 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END