Mrv0541 02231217442D 14 14 0 0 1 0 999 V2000 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 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 0.0000 0.0000 0.0000 C 0 0 1 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 2 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 1 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 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 5 3 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 1 0 0 0 M END > DB04526 > drugbank > OC[C@@H](O)[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1 > InChIKey=BGWQRWREUZVRGI-MAFUWASYSA-N > 7 > 19.111771104939116 > 1 > 6 > 210.073952802 > 0 > C7H14O7 > 0 > (2S,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol > -2.82 > -3.56287416 > 0.36 > 210.1819 > 0 > 1 > 0 > 12.601623047954277 > 11.293627891368423 > -2.974505986946932 > 130.61 > 41.88589999999999 > 2 > 0 > 4.85e+02 g/l > (2S,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol > 0 > DB04526 > experimental > L-Glycero-D-Manno-Heptopyranose $$$$