HMDB0036121 RDKit 3D Demethyloleuropein 67 69 0 0 0 0 0 0 0 0999 V2000 -3.4010 1.9774 1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 1.8277 2.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 0.8641 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -0.2088 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -0.3039 0.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 -0.3389 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -1.5986 -1.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 -1.8240 -1.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 -2.2165 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9067 -2.4092 -1.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -0.7728 -2.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0227 -1.2521 -3.7916 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 0.3337 -2.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 1.3634 -3.6437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9238 0.7697 -1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 0.9555 -0.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -1.4500 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -1.4974 2.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -0.4381 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -0.5386 3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 -1.6416 4.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 0.5094 4.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 0.8551 2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 0.8607 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 0.8500 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 1.9400 1.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 -0.2476 1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 -0.2995 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 0.5979 1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.3706 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 1.0353 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 0.8424 -2.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 -0.0389 -2.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -0.2063 -4.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 -0.7111 -1.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 -1.6036 -2.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9166 -0.5018 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 1.0403 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4987 2.4775 0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8571 2.6650 2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 2.5728 2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -0.1306 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -0.2138 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 -2.7559 -2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 -3.2197 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5696 -1.5224 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6009 -1.9294 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1825 -0.2860 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 -1.2569 -3.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.0766 -3.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 2.1254 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 1.7305 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 1.9017 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -2.4220 2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 1.2528 5.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 1.7315 2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -0.0387 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.7405 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 -1.3544 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -0.1631 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6437 0.3836 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 1.6789 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 1.7230 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 1.3811 -2.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -0.8214 -4.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -1.7829 -3.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4884 -1.0316 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 2 0 23 3 1 0 37 30 1 0 15 6 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 4 42 1 0 6 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 18 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 28 59 1 0 28 60 1 0 29 61 1 0 29 62 1 0 31 63 1 0 32 64 1 0 34 65 1 0 36 66 1 0 37 67 1 0 M END