HMDB0039904 RDKit 3D 3'-Methoxytricetin 7-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 8.4012 0.1401 1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 0.0999 -0.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9956 0.0584 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 0.0553 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 0.0151 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 0.0119 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 0.0491 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 0.0460 2.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 0.0794 3.6344 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 0.0033 1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -0.0036 2.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 0.0343 3.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 -0.0470 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -0.0846 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -0.1275 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -0.1419 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 -1.2807 -0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 -1.3670 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5993 -1.6411 -1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0037 -1.7521 -2.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 -1.7723 -1.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3388 -0.2222 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7425 -0.2755 0.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9003 1.1244 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8311 1.7652 -0.6011 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 1.0701 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7372 1.0155 -1.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1403 -0.0769 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -0.0332 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -0.0282 -0.3437 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -0.0238 -1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 -0.0210 -2.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5142 -0.0600 -4.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 0.0198 -2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9869 0.0203 -3.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 0.9302 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4483 0.4317 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 -0.8688 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 0.0869 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.0835 2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 0.0283 4.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 -0.0514 2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 -0.1145 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 -2.2902 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5986 -1.2306 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1273 -0.4050 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0224 -1.0898 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 1.7686 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 2.4292 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 2.0125 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 1.8311 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1338 -0.1055 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -0.0558 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -0.0905 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 0.0507 -2.6044 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 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 1 0 28 29 2 0 29 30 1 0 5 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 34 3 1 0 30 6 1 0 29 10 1 0 26 16 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 7 40 1 0 12 41 1 0 13 42 1 0 16 43 1 0 18 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 31 53 1 0 33 54 1 0 35 55 1 0 M END