HMDB0036637 RDKit 3D Mulberrofuran Q 68 76 0 0 0 0 0 0 0 0999 V2000 -3.1475 2.0423 -3.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 1.7958 -2.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 0.4252 -2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3449 0.1224 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 1.3109 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 1.2585 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 2.3040 2.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 3.5200 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 4.5870 2.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 3.6338 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 2.5517 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 2.6891 -1.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -0.4170 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -1.6038 -1.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 -1.5705 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 -2.7648 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -2.7874 1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 -3.9636 2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -5.1551 1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 -6.3560 1.9527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 -5.1742 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7519 -3.9915 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 -4.0718 -1.4972 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -1.6754 -0.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -0.5602 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -0.6570 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 0.4031 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 0.3104 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 -0.8005 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -0.5266 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -1.2659 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 -0.6573 1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 0.6229 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9374 1.1546 1.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 1.3500 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3889 0.7697 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 1.2335 -0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 1.5376 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 1.6606 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 2.8509 -2.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 0.5911 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 0.5736 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 1.8660 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 2.9103 -1.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 2.0162 -4.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 2.9734 -4.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 1.2105 -4.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4827 -0.3105 -2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9552 0.4962 -1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 -0.7404 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 0.3309 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 2.1998 3.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 5.2377 3.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 4.5728 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 -1.8831 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -3.9359 2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 -6.6970 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -6.1254 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -3.3031 -1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 -1.5622 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 -1.7524 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 -2.2882 1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 -1.2227 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1017 2.0921 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 2.3664 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 2.3704 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 3.5952 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 0.2827 -2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 4 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 15 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 2 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 2 0 36 37 1 0 27 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 12 2 1 0 15 13 1 0 22 16 1 0 41 25 1 0 43 2 1 0 11 5 1 0 42 13 1 0 37 28 1 0 36 30 1 0 1 45 1 0 1 46 1 0 1 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 6 51 1 0 7 52 1 0 9 53 1 0 10 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 21 58 1 0 23 59 1 0 26 60 1 0 29 61 1 0 31 62 1 0 32 63 1 0 34 64 1 0 35 65 1 0 38 66 1 0 40 67 1 0 42 68 1 0 M END