Mrv0541 02231219052D 12 11 0 0 1 0 999 V2000 2.7165 -4.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -4.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -3.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 -5.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 -4.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -4.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5744 -5.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2888 -4.3108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2888 -3.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0033 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7177 -4.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 6 0 0 0 9 7 1 0 0 0 0 9 10 1 6 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 M END > M2MDB000577 > M2MDB > OC[C@@H](O)[C@H](O)CC(=O)C(O)=O > InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1 > WPAMZTWLKIDIOP-NQXXGFSBSA-N > C6H10O6 > 178.14 > 178.047738052 > 6 > 15.535652108876848 > 1 > 4 > 0 > 0 > (4R,5R)-4,5,6-trihydroxy-2-oxohexanoic acid > -1.87 > -1.7750312403333335 > -0.12 > 0 > 0 > -1 > 13.243645462336318 > 2.9051234753891952 > -2.972361954381558 > 115.06 > 36.3163 > 5 > 1 > 1.34e+02 g/l > (4R,5R)-4,5,6-trihydroxy-2-oxohexanoic acid > 0 > ECMDB04044 > 2-Dehydro-3-deoxy-D-galactonate $$$$