HMDB0240520 RDKit 3D Genistein 4'-glucuronide-7-sulfate 54 57 0 0 0 0 0 0 0 0999 V2000 -6.4047 3.3478 -0.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9434 2.3393 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 2.3904 -1.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1623 1.0860 -0.6946 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9055 1.2807 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 0.2034 -0.4081 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2368 0.0970 0.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 0.1124 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 -0.0047 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 0.0002 2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 0.1229 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 0.1282 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 0.8636 1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 0.8561 2.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 0.1559 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5122 0.1825 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3312 -0.5376 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7242 -0.4540 0.6953 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5659 0.7693 -0.1548 S 0 0 0 0 0 6 0 0 0 0 0 0 10.8647 1.1019 0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7569 2.0509 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 0.3191 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 -1.3040 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3699 -1.3541 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -2.1397 -1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 -0.6319 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -0.6252 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 -1.3194 -0.7544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 0.2395 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 0.2330 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8167 -1.1019 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2078 -1.2843 -1.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 -1.1459 0.4245 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5974 -1.0314 1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9241 -0.0134 0.0112 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8229 -0.5570 -0.9049 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3908 2.1750 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 0.8890 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 0.3051 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -0.1013 2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 -0.0919 3.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 1.4863 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 0.7953 2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3821 0.9183 -2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4104 -1.8715 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -2.3252 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 0.3355 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 0.3266 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1022 -1.9036 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7011 -2.0241 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 -2.1301 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4973 -0.0990 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4208 0.3420 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4796 -1.4020 -1.2839 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 17 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 11 29 1 0 29 30 2 0 6 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 4 1 0 30 8 1 0 27 12 1 0 26 15 1 0 3 37 1 0 4 38 1 6 6 39 1 6 9 40 1 0 10 41 1 0 13 42 1 0 16 43 1 0 22 44 1 0 23 45 1 0 25 46 1 0 29 47 1 0 30 48 1 0 31 49 1 1 32 50 1 0 33 51 1 1 34 52 1 0 35 53 1 1 36 54 1 0 M END