HMDB0304549 RDKit 3D DHMBOA hexose 48 50 0 0 0 0 0 0 0 0999 V2000 6.3496 0.1078 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 0.0172 3.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 -0.1204 1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 -0.1792 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 -0.3202 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -0.3963 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -0.3353 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.1936 1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 -0.4094 0.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -0.0114 -0.3312 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2124 -0.2867 -0.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 0.8297 -0.1471 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5577 1.0337 1.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8552 0.5979 1.2933 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0114 -0.8969 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2386 -1.5831 2.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 1.3314 0.3775 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6840 2.6961 0.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 1.0563 -1.0325 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2246 0.0286 -1.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9882 0.8157 -1.2892 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5455 1.6559 -2.3385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 -0.6182 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 -1.1783 -2.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -0.5412 -1.6271 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -0.5998 -2.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 -1.9339 -3.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6461 1.1602 3.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5707 -0.1451 4.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -0.5544 2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 -0.1210 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 -0.3741 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -0.1469 2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2212 1.1005 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 1.6954 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 0.8687 2.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -1.1168 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -1.2971 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0372 -2.4821 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8436 0.9545 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 2.7863 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7454 1.9677 -1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2053 0.0661 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 -0.2186 -1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 2.2393 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 -2.0558 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 -2.5926 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -2.3004 -3.3494 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 8 3 1 0 21 12 1 0 25 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 8 33 1 0 10 34 1 6 12 35 1 6 14 36 1 1 15 37 1 0 15 38 1 0 16 39 1 0 17 40 1 6 18 41 1 0 19 42 1 6 20 43 1 0 21 44 1 6 22 45 1 0 27 46 1 0 27 47 1 0 27 48 1 0 M END