Mrv0541 02231217012D 16 16 0 0 1 0 999 V2000 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 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 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 0.1842 1.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 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 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 2.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 1.7262 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 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 1 0 0 0 7 14 1 1 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END > DB03548 > drugbank > OC[C@@H](O)[C@@H]1O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O > InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4+,5+,6-,8+/m0/s1 > InChIKey=NNLZBVFSCVTSLA-JDSYOCTRSA-N > 8 > 21.04033183303801 > 1 > 6 > 238.068867424 > 0 > C8H14O8 > 0 > (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid > -2.81 > -2.6455673833333333 > 0.41 > 238.192 > 0 > 1 > -1 > 11.111294812920784 > 2.890134275479364 > -2.9745201549719393 > 147.68 > 46.7176 > 3 > 0 > 6.12e+02 g/l > (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid > 0 > DB03548 > experimental > 3-Deoxy-D-Manno-Oct-2-Ulosonic Acid $$$$