Mrv1652304272019032D 13 14 0 0 0 0 999 V2000 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 1.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M END > CDB005855 > CDB > COC1=C2C(O)=C(O)OC2=CC=C1 > InChI=1S/C9H8O4/c1-12-5-3-2-4-6-7(5)8(10)9(11)13-6/h2-4,10-11H,1H3 > PJQYVPZKXQJPAP-UHFFFAOYSA-N > C9H8O4 > 180.159 > 180.042258738 > 3 > 21 > 17.14150402463563 > 1 > 2 > 0 > 1 > 4-methoxy-1-benzofuran-2,3-diol > 1.52 > 1.4568583163333333 > -1.12 > 0 > 2 > -1 > 11.273767926729661 > 6.732258869730231 > -2.826050384988448 > 62.83 > 44.5774 > 1 > 1 > 1.36e+01 g/l > 4-methoxy-1-benzofuran-2,3-diol > 0 > CDB005855 > Methoxydihydroxybenzofuran $$$$