HMDB0240483 RDKit 3D Biochanin a 7-glucuronide 53 56 0 0 0 0 0 0 0 0999 V2000 8.9604 -2.4511 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 -1.1422 -1.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4303 -0.8106 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 0.4674 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.7877 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -0.2014 -0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 0.0878 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 0.7164 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0804 0.9582 1.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 0.6102 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 0.8559 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 0.5058 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 0.8188 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8432 0.5878 0.4970 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6123 1.7201 0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 1.4325 0.1603 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5825 2.7043 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7593 2.6728 -0.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9743 3.9272 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 0.7047 1.2545 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6119 -0.1403 0.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6558 -0.0651 2.0903 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1576 0.7316 3.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -0.5665 1.2172 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1352 -1.3676 0.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 -0.1277 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 -0.3908 -1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2631 -1.0355 -2.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 -0.0295 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.2846 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -0.8670 -1.9746 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 -1.4998 -1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -1.7864 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3052 -2.7228 -3.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8485 -3.1813 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9921 -2.5681 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 1.2487 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 1.8025 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 1.0417 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 1.3632 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 0.2957 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8508 0.8245 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 4.3089 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1588 1.4504 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8871 -0.8164 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -0.9869 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 0.6016 3.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7983 -1.1838 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -2.2234 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 -0.4184 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 -1.3237 -2.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 -2.2324 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7049 -2.8028 -1.7980 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 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 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 2 0 6 32 1 0 32 33 2 0 33 3 1 0 30 7 1 0 29 10 1 0 24 14 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 8 39 1 0 11 40 1 0 14 41 1 6 16 42 1 6 19 43 1 0 20 44 1 1 21 45 1 0 22 46 1 1 23 47 1 0 24 48 1 1 25 49 1 0 26 50 1 0 28 51 1 0 32 52 1 0 33 53 1 0 M END