Mrv0541 04121516562D 9 9 0 0 0 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 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 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 C 0 0 0 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 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > NP0231125 > NP-MRD > CC1OC=CC(O)C1O > InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3 > ZPKHLHZFXAQVMQ-UHFFFAOYSA-N > C6H10O3 > 130.143 > 130.062994182 > 3 > 19 > 12.854365000723934 > 1 > 2 > 0 > 0 > 2-methyl-3,4-dihydro-2H-pyran-3,4-diol > -0.70 > -0.5904301176666664 > 0.52 > 0 > 1 > 0 > 14.614606261100846 > 13.037332902615553 > -3.3852527246650537 > 49.69 > 32.2354 > 0 > 1 > 4.27e+02 g/l > 2-methyl-3,4-dihydro-2H-pyran-3,4-diol > 0 > NP0231125 > 2-methyl-3,4-dihydro-2h-pyran-3,4-diol $$$$