HMDB0240522 RDKit 3D Genistein 7-sulfate 34 36 0 0 0 0 0 0 0 0999 V2000 0.8295 -1.6622 0.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.7064 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 0.2541 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 0.1534 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 1.2578 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 1.1994 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 0.0096 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -0.0646 0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 -1.1034 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 -1.0284 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 1.2969 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 1.3815 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 0.5084 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 0.6609 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -0.2380 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0539 -0.0322 -1.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0091 0.8726 -0.2463 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.3983 0.9272 -0.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 2.2561 -0.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 0.1616 1.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -1.2992 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -1.4855 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -2.5757 0.8073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 -0.5811 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 2.2041 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 2.0802 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 0.0993 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 -2.0369 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 -1.8987 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 2.0685 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.5236 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8733 0.7345 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -2.0405 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 -2.8968 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 3 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 2 0 17 20 1 0 15 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 2 1 0 10 4 1 0 24 13 1 0 5 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 20 32 1 0 21 33 1 0 23 34 1 0 M END