Mrv1533004161516062D 14 15 0 0 0 0 999 V2000 0.0000 -1.6500 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 0.7145 -0.4125 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 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 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 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 2 14 1 0 0 0 0 M END > NP0148326 > NP-MRD > CC1=CC=C2C(O)C(O)CC(=O)C2=C1 > InChI=1S/C11H12O3/c1-6-2-3-7-8(4-6)9(12)5-10(13)11(7)14/h2-4,10-11,13-14H,5H2,1H3 > MZYNCNMKIDIQCA-UHFFFAOYSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 20.00172589070413 > 1 > 2 > 0 > 1 > 3,4-dihydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-one > -0.13 > 0.6447388436666666 > -1.03 > 0 > 2 > 0 > 13.583777528451623 > 12.76144334955849 > -3.296819503123044 > 57.53 > 52.090900000000005 > 0 > 1 > 1.80e+01 g/l > 3,4-dihydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one > 0 > NP0148326 > 3,4-dihydroxy-7-methyl-3,4-dihydro-2h-naphthalen-1-one $$$$