HMDB0030688 RDKit 3D Cyclomulberrin 55 58 0 0 0 0 0 0 0 0999 V2000 -5.1749 -1.7250 1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 -0.5754 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8681 0.3381 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -0.4042 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 0.6679 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 0.1950 -1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 -0.3440 -2.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -0.4798 -2.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -0.7864 -3.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 -0.6712 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 -1.1097 -4.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 -0.1219 -2.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 -0.0113 -2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 -0.4038 -3.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 0.5568 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 0.9781 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 0.8483 -0.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 0.3162 -1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 1.5610 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 2.0106 2.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 2.5703 3.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 2.6767 3.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 3.2538 4.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 2.2386 2.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 1.6614 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 1.2178 0.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 0.6738 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.6868 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -1.6593 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -1.5469 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 -2.9754 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -2.5514 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3428 -1.3864 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -2.1023 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4494 -0.0613 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 0.3828 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 1.3697 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 -1.1414 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8715 1.3182 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 1.4113 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 -0.1979 -1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -1.2091 -4.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 -1.5128 -5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 1.8904 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 2.8995 4.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 4.2569 4.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 2.3401 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 1.3673 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 -0.8798 -2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 -2.5546 1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 -1.1890 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 -0.8839 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6589 -2.8437 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -3.7765 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -3.2096 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 3 29 30 1 0 29 31 1 0 18 6 1 0 25 19 1 0 18 12 2 0 27 15 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 8 41 1 0 9 42 1 0 11 43 1 0 20 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 27 48 1 0 28 49 1 0 30 50 1 0 30 51 1 0 30 52 1 0 31 53 1 0 31 54 1 0 31 55 1 0 M END