Mrv0541 02231216222D 11 11 0 0 1 0 999 V2000 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 3 11 1 0 0 0 0 M END > DB02670 > drugbank > OC[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)O1 > InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6+/m0/s1 > InChIKey=HDEMQQHXNOJATE-UNTFVMJOSA-N > 5 > 15.647307598925247 > 1 > 4 > 164.068473494 > 0 > C6H12O5 > 0 > (2R,3R,4S,6S)-6-(hydroxymethyl)oxane-2,3,4-triol > -2.55 > -2.2422445370000004 > 0.79 > 164.1565 > 0 > 1 > 0 > 13.267494312941718 > 11.327487110456788 > -2.944595153470533 > 90.15 > 34.826299999999996 > 1 > 1 > 1.02e+03 g/l > 4-deoxy-α-D-glucose > 0 > DB02670 > experimental > 4-Deoxy-Alpha-D-Glucose $$$$