Mrv1533004161508022D 14 15 0 0 0 0 999 V2000 0.8986 -2.2820 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 1.9592 -2.2820 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 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 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 4.2868 -1.6500 0.0000 O 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 2.1434 -1.2375 0.0000 C 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 2 14 1 0 0 0 0 7 14 1 0 0 0 0 M END > NP0297930 > NP-MRD > CC1(C)OCCC2=CC(O)=C(O)C=C12 > InChI=1S/C11H14O3/c1-11(2)8-6-10(13)9(12)5-7(8)3-4-14-11/h5-6,12-13H,3-4H2,1-2H3 > OJBLPQSINZETOY-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.5976710558164 > 1 > 2 > 0 > 1 > 1,1-dimethyl-3,4-dihydro-1H-2-benzopyran-6,7-diol > 2.17 > 1.9789321083333333 > -1.87 > 0 > 2 > 0 > 12.75137952156345 > 9.344918714683693 > -4.196425900922674 > 49.69 > 53.95350000000001 > 0 > 1 > 2.61e+00 g/l > 1,1-dimethyl-3,4-dihydro-2-benzopyran-6,7-diol > 0 > NP0297930 > 1,1-dimethyl-3,4-dihydro-2-benzopyran-6,7-diol $$$$