Mrv1533004171501142D 14 15 0 0 0 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 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 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 2 14 1 0 0 0 0 7 14 2 0 0 0 0 M END > NP0198017 > NP-MRD > CC1=CC(O)=CC2=C1C(=O)C(C)(O)O2 > InChI=1S/C10H10O4/c1-5-3-6(11)4-7-8(5)9(12)10(2,13)14-7/h3-4,11,13H,1-2H3 > ZNVGYHOBTCWGTO-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 4 > 24 > 19.12825465589122 > 1 > 2 > 0 > 1 > 2,6-dihydroxy-2,4-dimethyl-2,3-dihydro-1-benzofuran-3-one > 1.08 > 1.4726243786666666 > -0.86 > 0 > 2 > 0 > 10.318505739773425 > 7.6840884032537 > -4.877054278108628 > 66.75999999999999 > 49.5889 > 0 > 1 > 2.66e+01 g/l > 2,6-dihydroxy-2,4-dimethyl-1-benzofuran-3-one > 0 > NP0198017 > 2,6-dihydroxy-2,4-dimethyl-1-benzofuran-3-one $$$$