HMDB0301965 RDKit 3D 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide 56 60 0 0 0 0 0 0 0 0999 V2000 2.9333 -2.5931 2.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 -2.7014 0.9777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -1.5926 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.6719 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -0.7450 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -1.8315 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 -1.7663 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 -0.6030 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 -0.6138 0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8517 0.4551 0.1454 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5547 0.8425 1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8654 0.4573 1.3234 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0308 -1.0271 1.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 -1.7252 1.6382 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2633 -1.6208 1.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7399 0.9951 0.2405 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5380 2.0532 0.6261 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 1.3660 -0.9329 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5458 1.5327 -2.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8322 0.2175 -1.0181 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1603 0.2162 -2.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 0.4739 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 0.4364 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 0.3497 -0.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 0.5525 -1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7966 1.6849 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 1.8959 -1.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0205 0.9902 -1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -0.1600 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 -1.0158 -0.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 -0.3419 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -1.4257 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -2.3078 0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2809 1.4191 -1.8419 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1845 2.7544 -2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 2.9050 -2.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 -3.2403 2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -2.9279 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 -1.5491 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -2.8007 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 -2.6487 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 1.3513 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 0.8876 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0644 -1.2810 2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3561 0.1289 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4576 1.8691 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2677 2.2573 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3687 0.7903 -2.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3901 -0.7109 -0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3963 -0.6105 -2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 1.4207 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 1.3442 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 2.3620 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6237 -1.8247 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4967 3.4626 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 2.8653 -3.1771 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 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 1 0 22 23 2 0 4 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 32 33 2 0 28 34 1 0 34 35 1 0 35 36 1 0 32 3 1 0 23 5 1 0 31 25 1 0 20 10 1 0 36 27 1 0 1 37 1 0 1 38 1 0 1 39 1 0 6 40 1 0 7 41 1 0 10 42 1 6 12 43 1 1 15 44 1 0 16 45 1 6 17 46 1 0 18 47 1 1 19 48 1 0 20 49 1 1 21 50 1 0 22 51 1 0 23 52 1 0 26 53 1 0 30 54 1 0 35 55 1 0 35 56 1 0 M END