HMDB0240484 RDKit 3D Biochanin a 7-sulfate 37 39 0 0 0 0 0 0 0 0999 V2000 7.1742 0.3593 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 -0.4803 0.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -0.2312 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -1.1820 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 -0.9861 -0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 0.1234 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 0.2863 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.5118 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 1.6485 -0.9078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 0.6971 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3541 0.8991 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -0.0900 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6352 0.1536 -0.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6066 0.7315 0.4907 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.3573 1.9573 -0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7782 1.0638 1.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7664 -0.3958 0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 -1.3315 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -1.5544 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 -2.7900 0.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -0.5403 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.7573 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -1.8754 0.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 1.0727 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 0.8811 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 0.3424 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3932 -0.0906 1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 1.3996 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 -2.0732 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -1.7363 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 2.3223 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 1.8714 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6289 -1.1928 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 -2.1062 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -3.5252 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 1.9537 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 1.6347 1.0569 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 2 0 14 16 2 0 14 17 1 0 12 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 6 24 1 0 24 25 2 0 25 3 1 0 22 7 1 0 21 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 11 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 24 36 1 0 25 37 1 0 M END