HMDB0036160 RDKit 3D 8-Acetyl-T2 tetrol 48 51 0 0 0 0 0 0 0 0999 V2000 5.1966 1.8493 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 1.3504 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 1.6541 -0.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 0.5805 0.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 0.1377 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 0.7088 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2973 0.0015 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0975 0.0002 -1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.2831 -2.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 -1.4693 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -2.0371 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 -1.3296 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 -2.0129 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2774 -2.0914 -0.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5324 -1.5655 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -1.3406 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 -1.3166 1.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 0.0010 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 0.8672 1.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6581 0.5389 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 2.0209 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -0.1220 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 0.5013 -1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9543 0.2404 -2.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 1.2418 2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 1.9292 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 2.8918 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 0.5377 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 0.5387 1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.7801 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -0.6661 -2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9072 -0.4503 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 1.7777 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -1.5544 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 -3.1111 -0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 -1.4743 -1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 -2.0947 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -3.0360 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2999 -2.2142 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 -2.1636 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 -1.6706 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 0.0321 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 0.6032 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 2.3682 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 2.2897 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 2.5309 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 1.5702 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 -0.1062 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 12 5 1 0 22 15 1 0 20 7 1 0 24 22 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 23 47 1 0 23 48 1 0 M END