Mrv0541 10231212542D 20 19 0 0 0 0 999 V2000 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.1434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 3 10 1 1 0 0 0 11 4 2 0 0 0 0 5 12 1 1 0 0 0 6 13 1 6 0 0 0 7 14 1 6 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 3 17 1 1 0 0 0 5 18 1 1 0 0 0 6 19 1 6 0 0 0 7 20 1 6 0 0 0 M END > M2MDB000918 > M2MDB > [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CC(=O)C(O)=O > InChI=1S/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)/t3-,5-,6-,7-/m1/s1 > KYQCXUMVJGMDNG-SHUUEZRQSA-N > C8H14O8 > 238.192 > 238.068867424 > 8 > 20.910612612472292 > 1 > 6 > 0 > 0 > (4R,5R,6R,7R)-4,5,6,7,8-pentahydroxy-2-oxooctanoic acid > -2.54 > -3.0357011243333334 > -0.57 > 0 > 0 > -1 > 12.630062785724625 > 2.9038228877924785 > -2.9742108660118767 > 155.52 > 48.241299999999995 > 7 > 0 > 6.49e+01 g/l > 3-deoxy-D-manno-octulosonate > 0 > ECMDB20069 > 3-Deoxy-D-manno-octulosonate $$$$