HMDB0030641 RDKit 3D Biochanin A 7-(6-methylmalonylglucoside) 65 68 0 0 0 0 0 0 0 0999 V2000 9.1174 3.2229 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1828 2.2208 -0.7025 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9067 1.8974 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5162 2.5249 -2.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9183 0.8390 -2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 0.3133 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0701 -0.5267 -0.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 0.7565 -0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4842 0.4174 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 -0.9198 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 -1.1494 -0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.8438 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 -0.9260 0.9659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1431 -0.5268 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 0.3990 1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 0.8206 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 1.7320 2.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 0.3021 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0976 0.6885 0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 1.5158 1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9177 0.1717 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 0.5785 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8736 0.9196 -1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1897 1.2968 -1.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9899 1.3520 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2948 1.7390 -0.8179 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2459 1.8519 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3972 1.0073 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 0.6209 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 -0.7424 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 -1.1063 -1.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 -0.6236 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -1.0156 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3704 -2.9444 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 -2.6972 2.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 -3.3208 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -3.9894 2.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7266 -2.1159 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 -2.0462 1.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2059 3.3493 0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 4.1814 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1220 3.0168 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4789 0.0240 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1246 1.2091 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 0.5952 1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 1.2312 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 -0.9087 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -2.2984 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 0.7901 2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1955 2.1926 2.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2419 0.8779 -2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5827 1.5555 -2.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2515 1.6218 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0347 1.0788 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3168 2.8733 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 1.0409 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6352 0.3542 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 -1.1739 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.7409 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -3.9059 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 -2.4571 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8651 -4.0293 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -4.9122 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -2.3262 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -2.9329 2.1537 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 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 2 0 21 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 12 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 10 1 0 33 14 1 0 32 18 1 0 29 22 1 0 1 40 1 0 1 41 1 0 1 42 1 0 5 43 1 0 5 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 12 48 1 0 15 49 1 0 17 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 33 59 1 0 34 60 1 0 35 61 1 0 36 62 1 0 37 63 1 0 38 64 1 0 39 65 1 0 M END