HMDB0240698 RDKit 3D Daidzein 4'-sulfate 33 35 0 0 0 0 0 0 0 0999 V2000 0.9849 2.0444 -0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 0.8587 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -0.2290 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -0.0273 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5111 0.8990 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 1.0826 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 0.3398 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0243 0.5495 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -0.3834 0.6444 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.2507 -1.6131 1.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 0.3673 1.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3311 -0.8920 -0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0424 -0.5795 -1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -0.7716 -1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -1.4801 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 -1.6496 -0.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -0.6440 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6519 -0.8723 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 0.2215 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 0.0227 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 1.5086 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 1.6878 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 0.6359 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 1.4956 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 1.8233 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0659 -1.6979 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 -1.1562 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -1.4910 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4757 -2.3557 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -1.8857 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2919 -0.8806 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 2.3829 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 2.6892 -0.1323 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 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 7 13 1 0 13 14 2 0 3 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 2 1 0 14 4 1 0 23 17 1 0 5 24 1 0 6 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 18 30 1 0 20 31 1 0 21 32 1 0 22 33 1 0 M END