HMDB0130523 RDKit 3D 3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan... 56 59 0 0 0 0 0 0 0 0999 V2000 3.8964 -2.3274 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -1.7047 -2.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -0.8444 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -0.5191 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 0.3583 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5205 0.6620 -0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9891 1.4796 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 1.7461 0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 2.0904 1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 1.7980 1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 0.9271 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 0.5970 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 -0.2688 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -0.6252 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 0.3869 -0.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -0.2413 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.1518 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -2.4326 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.5929 2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -0.5248 0.7143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 0.0085 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 -0.5398 -0.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9834 -0.1643 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 -0.7321 1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2087 -0.3982 1.8045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 -1.6236 1.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 1.3186 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 1.5768 0.7698 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9538 2.0387 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 3.3889 -0.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 1.5307 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 2.0156 -1.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.8338 -3.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -2.4259 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -3.4136 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -0.9343 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 2.7615 2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 2.2403 2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 1.0568 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 -1.5018 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 0.4592 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -2.9306 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 -3.0861 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 -2.2780 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -2.5705 2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -1.5902 2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -0.8747 2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -0.2148 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8325 -0.5975 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -2.5470 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5829 1.6740 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 2.1270 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 1.9782 1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 3.6862 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 1.9081 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 2.6752 -1.8435 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 23 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 13 3 1 0 16 14 1 0 31 21 1 0 11 5 2 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 9 37 1 0 10 38 1 0 12 39 1 0 14 40 1 0 16 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 23 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 30 54 1 0 31 55 1 0 32 56 1 0 M END