HMDB0038266 RDKit 3D 3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide 60 64 0 0 0 0 0 0 0 0999 V2000 -6.0398 -2.6516 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 -2.4363 0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 -1.5912 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 -0.9022 1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -0.0510 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 0.1067 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 1.1051 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 2.1990 1.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 3.1520 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 4.2649 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 5.2914 2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 5.2490 1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 4.1803 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 4.1062 -0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 3.1426 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 2.0318 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 1.9816 -0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 1.0384 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 -0.0697 -1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1943 -1.1810 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5675 -1.0502 -0.8489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -2.0648 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -1.9347 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -2.7691 0.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.0197 -1.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -3.4315 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 -4.2299 -1.0445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 -3.1724 -1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -2.2841 -2.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 -2.4516 -1.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -3.2529 0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 6.3988 1.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 7.2995 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 6.4799 2.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -0.6008 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 -1.4559 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -2.1338 -1.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 -2.1011 -3.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5803 -1.7413 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7411 -3.4979 1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 -2.9517 2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -1.0174 2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 0.4785 2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 4.2720 2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 4.8340 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 -1.0768 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 -1.9945 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5927 -0.1066 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2349 -3.9668 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -5.1042 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 -4.0778 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -2.2024 -3.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 -2.3774 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -3.7989 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 7.8925 3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 7.9731 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -0.4911 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 -1.2976 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 -1.8505 -3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -3.0889 -3.6997 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 12 32 1 0 32 33 1 0 33 34 1 0 6 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 36 3 1 0 18 7 2 0 30 20 1 0 15 9 1 0 34 11 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 5 43 1 0 10 44 1 0 14 45 1 0 20 46 1 0 22 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 33 55 1 0 33 56 1 0 35 57 1 0 38 58 1 0 38 59 1 0 38 60 1 0 M END