HMDB0035201 RDKit 3D 4,8-Diacetyl-T2-tetrol 53 56 0 0 0 0 0 0 0 0999 V2000 6.0336 0.2489 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 0.5018 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 0.8803 -1.8605 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 0.3311 0.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 0.5821 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 -0.5916 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 -0.5272 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0665 -1.5714 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 -1.2626 2.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 0.7990 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 1.8845 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 1.8013 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 2.9768 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5529 1.3164 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 1.1487 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 0.2529 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 0.8499 -0.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 -0.8683 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 -0.3667 1.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5338 -0.9677 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7686 -0.4888 3.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -1.9415 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -0.9646 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -2.3549 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 0.0866 -1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -0.2271 -3.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 0.3817 -2.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 1.1625 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4586 -0.6310 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 0.0161 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 0.8994 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 -1.0322 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -1.4108 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -1.7933 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -2.5497 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -0.8345 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 0.6477 1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 2.8113 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 3.9037 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.0898 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 2.9249 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 2.0378 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 -0.1161 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 0.7104 -0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 -1.7753 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8326 -0.6957 3.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 -0.9003 4.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7001 0.6354 3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -2.5356 -1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -2.5042 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9454 -3.0904 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 0.4051 -3.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 -1.2844 -3.5161 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 19 20 1 0 20 21 1 0 20 22 2 0 18 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 12 5 1 0 25 15 1 0 23 7 1 0 27 25 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 M END