HMDB0240480 RDKit 3D Apigenin 7-glucuronide 50 53 0 0 0 0 0 0 0 0999 V2000 4.7735 4.0348 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5692 3.0752 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 3.2107 -1.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 1.8353 0.1770 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8234 0.8484 -0.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -0.1084 -0.2093 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4927 -1.0154 -1.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 -1.3091 -1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 -2.2385 -2.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -2.6070 -2.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -3.5375 -3.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -1.9933 -2.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 -2.2816 -2.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 -3.1119 -3.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7303 -1.6077 -1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -0.6817 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 0.0232 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8279 -0.2016 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 0.4826 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 1.4030 1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3859 2.1053 2.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1117 1.6337 1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1498 0.9478 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 -0.4340 -0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2211 -1.0404 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.7257 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 -0.8643 0.8222 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0965 -1.9811 1.2919 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 0.1296 1.9223 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7913 -0.4583 2.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 1.2652 1.2951 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2150 2.2453 2.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 3.7842 -1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 2.0467 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 0.4281 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 -2.7168 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 -3.9073 -4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7573 -1.8591 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1668 -0.9105 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8661 0.3157 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 1.7852 3.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8406 2.3609 2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1048 1.1328 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 0.0158 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -1.1400 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -2.2563 2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 0.5074 2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8976 0.2481 3.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 0.8156 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.3071 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 6 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 4 1 0 26 8 1 0 25 12 1 0 23 17 1 0 3 33 1 0 4 34 1 1 6 35 1 1 9 36 1 0 11 37 1 0 15 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 26 44 1 0 27 45 1 6 28 46 1 0 29 47 1 1 30 48 1 0 31 49 1 6 32 50 1 0 M END