HMDB0033328 RDKit 3D BR-Xanthone A 53 57 0 0 0 0 0 0 0 0999 V2000 6.8581 0.4825 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -0.0899 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 -0.4238 1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 -1.3357 -0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 -1.8252 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -0.7665 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 0.5424 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 1.5111 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 1.2215 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 2.1598 -0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 1.8942 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 2.9370 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 2.6832 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 3.7487 -0.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7696 1.3865 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 0.3250 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 0.6000 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -0.3931 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 -1.6096 -0.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 -0.1057 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -1.1224 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -2.4275 0.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 -1.0980 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 -1.2177 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 -0.1168 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -0.0821 1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9974 -0.2839 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1351 1.1584 -0.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 0.8581 0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 1.2378 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -0.3805 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 0.8933 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 -0.3522 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 -1.4553 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3674 0.3185 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -2.1313 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8821 -1.0646 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 -1.9486 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 -2.8048 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 2.5459 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 3.9569 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 3.6351 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 -3.2600 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 -1.5868 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 -1.6334 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1096 -2.1688 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0229 -1.2624 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4883 0.0450 1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 -1.0288 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0914 0.7978 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1049 -0.5077 -1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5977 0.6454 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5006 -1.1012 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 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 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 16 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 7 29 1 0 29 2 1 0 21 6 1 0 20 9 1 0 17 11 1 0 28 15 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 8 40 1 0 12 41 1 0 14 42 1 0 22 43 1 0 23 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 26 48 1 0 26 49 1 0 26 50 1 0 27 51 1 0 27 52 1 0 27 53 1 0 M END