Mrv1652309092211392D 17 18 0 0 0 0 999 V2000 3.4990 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.0709 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 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 7 10 2 0 0 0 0 3 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 6 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 5 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > NP0282707 > NP-MRD > COC1=CC2=C(OCC2O)C(OC)=C1C(O)=O > InChI=1S/C11H12O6/c1-15-7-3-5-6(12)4-17-9(5)10(16-2)8(7)11(13)14/h3,6,12H,4H2,1-2H3,(H,13,14) > OWIJLQLPOIFVQO-UHFFFAOYSA-N > C11H12O6 > 240.211 > 240.063388106 > 6 > 29 > 22.955478367818188 > 1 > 2 > 0 > 1 > 3-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzofuran-6-carboxylic acid > 0.2787072863333333 > 0 > 2 > -1 > 13.35951138888229 > 3.1030934060823587 > -3.5804249045542322 > 85.22000000000001 > 57.22090000000001 > 3 > 1 > 3-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzofuran-6-carboxylic acid > 0 > NP0282707 > 3-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzofuran-6-carboxylic acid $$$$