20112 -OEChem-03192407392D 17 16 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > 20112 > 1 > 68.5 > 2 > 1 > 2 > AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAIAIAQAAAAAAAAAAAAAAEAAAAAEBYAAAAAQAAEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-hydroxypentan-2-one > 4-hydroxy-2-pentanone > 4-hydroxypentan-2-one > 4-hydroxypentan-2-one > 4-oxidanylpentan-2-one > 4-hydroxypentan-2-one > InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3 > PCYZZYAEGNVNMH-UHFFFAOYSA-N > -0.4 > 102.068079557 > C5H10O2 > 102.13 > CC(CC(=O)C)O > CC(CC(=O)C)O > 37.3 > 102.068079557 > 0 > 7 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 1 3 $$$$