Mrv1533004231519102D 13 13 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 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 0.7145 -1.2375 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 2.1434 -0.4125 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 4 12 1 0 0 0 0 7 13 1 0 0 0 0 M END > NP0057290 > NP-MRD > CC(C)C1=C(C)C(O)=C(C)C(=O)O1 > InChI=1S/C10H14O3/c1-5(2)9-6(3)8(11)7(4)10(12)13-9/h5,11H,1-4H3 > GMJLJXNLVMISOW-UHFFFAOYSA-N > C10H14O3 > 182.219 > 182.094294311 > 2 > 27 > 19.564276769110535 > 1 > 1 > 0 > 1 > 4-hydroxy-3,5-dimethyl-6-(propan-2-yl)-2H-pyran-2-one > 1.33 > 2.0754886320000003 > -1.58 > 0 > 1 > 0 > 7.677403257489866 > -6.001703815175849 > 46.53 > 51.44160000000001 > 1 > 1 > 4.77e+00 g/l > 4-hydroxy-6-isopropyl-3,5-dimethylpyran-2-one > 0 > NP0057290 > 4-Hydroxy-6-isopropyl-3,5-dimethyl-2H-pyran-2-one $$$$