Mrv1652309022203462D 9 9 0 0 1 0 999 V2000 0.7145 2.0625 0.0000 C 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 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 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 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 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 2 9 1 0 0 0 0 M END > NP0146390 > NP-MRD > C[C@H]1C[C@H](O)CC(=O)O1 > InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3/t4-,5-/m0/s1 > KKZQBMBBMJKIRQ-WHFBIAKZSA-N > C6H10O3 > 130.143 > 130.062994182 > 2 > 19 > 12.933537753077584 > 1 > 1 > 0 > 0 > (4S,6S)-4-hydroxy-6-methyloxan-2-one > -0.17 > -0.29291007766666644 > 0.46 > 0 > 1 > 0 > 14.915056690578858 > -2.8359542035408074 > 46.53 > 30.7998 > 0 > 1 > 3.73e+02 g/l > (4S,6S)-4-hydroxy-6-methyloxan-2-one > 0 > NP0146390 > (4s,6s)-4-hydroxy-6-methyloxan-2-one $$$$