HMDB0032729 RDKit 3D Dulxanthone B 56 58 0 0 0 0 0 0 0 0999 V2000 0.3878 -3.2196 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -2.5144 -0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -1.1375 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -0.5264 -1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 -1.2646 -1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.6660 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -1.3472 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -1.7719 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 -0.5664 -1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 0.8863 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.4427 -1.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 1.6274 -0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 3.0027 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 3.6484 -1.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 3.7157 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 5.1079 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 5.7753 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 5.1254 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 5.8464 0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 3.7365 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 3.0328 0.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 3.0104 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 1.7145 -0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 1.0194 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -0.3931 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 -0.9723 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 -1.5713 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 -2.7981 1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 -3.3430 3.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3049 -3.6352 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 -3.8482 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -2.5617 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 -3.9948 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -2.1989 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 -0.6791 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 -2.2362 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -2.4806 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 -0.8672 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 -2.1560 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 0.5134 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -1.0025 -2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -0.6220 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 2.2706 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 5.5865 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 6.8555 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 6.8541 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 3.4297 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -1.7376 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 -0.1885 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 -0.9787 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3821 -2.6050 3.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1585 -4.2545 3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -3.5432 3.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -3.1354 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 -3.7933 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -4.5909 0.9444 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 2 3 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 25 3 1 0 24 12 1 0 22 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 8 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 21 47 1 0 26 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 29 52 1 0 29 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 M END