HMDB0041739 RDKit 3D Genistein 7-O-glucuronide 50 53 0 0 0 0 0 0 0 0999 V2000 -6.4168 -2.6839 -0.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5812 -1.8821 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2137 -2.0606 -2.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 -0.7781 -0.0874 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1114 -0.0848 -0.9092 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 0.6729 -0.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2928 1.2171 -0.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 0.9584 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 1.5965 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 1.3888 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 2.0610 -2.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 0.5110 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 0.2664 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 0.8228 -1.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 -0.6255 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -0.9237 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 -2.2177 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9148 -2.4513 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 -1.3865 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1631 -1.6350 0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2956 -0.1050 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9489 0.1591 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 -1.2236 1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 -0.9577 0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -0.1252 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 0.0926 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 1.7288 0.6720 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5999 1.8160 1.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 1.5770 0.5791 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0718 2.4541 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0478 0.2026 0.3543 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7149 -0.3421 1.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 -2.5860 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4887 -1.1943 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 -0.0365 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 2.2948 -2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 2.1129 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8509 -3.0419 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2337 -3.4691 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 -0.8368 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 0.7269 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5775 1.1831 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 -1.9227 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.4628 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 2.7125 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2591 2.7040 2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 1.9472 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 2.2515 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 0.2117 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0322 -0.6366 2.1320 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 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 15 23 2 0 23 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 22 16 1 0 3 33 1 0 4 34 1 1 6 35 1 1 9 36 1 0 11 37 1 0 17 38 1 0 18 39 1 0 20 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