HMDB0030640 RDKit 3D Biochanin A 7-(6-malonylglucoside) 62 65 0 0 0 0 0 0 0 0999 V2000 10.7497 0.8286 2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 0.6420 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7622 0.6113 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 0.4165 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9093 0.3821 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 0.5393 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 0.4967 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 1.1804 -1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 1.1615 -1.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 0.4870 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 0.4767 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 -0.2156 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 -0.2065 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 0.4464 -1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 1.2942 -1.3208 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 0.5460 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 1.4648 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 0.8991 1.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 0.3963 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4936 0.4363 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8069 -0.2155 2.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1117 -0.6729 1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3972 -0.5239 0.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0047 -1.2690 2.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8927 -0.4511 -1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 0.1053 -2.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -1.4457 -1.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 -2.3339 -2.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 -0.6452 -2.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 -0.1128 -3.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 -0.9293 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -0.9479 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 -1.6766 2.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 -0.2427 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.2224 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -0.8327 1.5985 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4777 0.7336 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8240 0.7639 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3284 1.7220 2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 -0.0829 2.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8268 1.0283 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9738 0.2920 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6122 0.2247 -1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 1.7761 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2878 1.0454 -1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 1.0292 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3668 -0.0388 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3497 2.3142 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 1.9995 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2408 -1.0303 2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9905 0.5666 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7672 -1.9310 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 -1.0786 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8828 -0.5710 -2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3684 -1.9637 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -3.1619 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 -1.2478 -3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 0.0224 -4.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -1.4828 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -1.8336 2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7368 0.8531 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 0.9169 2.6325 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 16 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 12 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 35 36 2 0 6 37 1 0 37 38 2 0 38 3 1 0 35 7 1 0 34 10 1 0 29 14 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 5 43 1 0 8 44 1 0 11 45 1 0 14 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 21 50 1 0 21 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 31 59 1 0 33 60 1 0 37 61 1 0 38 62 1 0 M END