Mrv1533004171503182D 23 24 0 0 0 0 999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 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 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 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 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -3.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 3 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > NP0329679 > NP-MRD > COC1=CC(O)=C(C(O)=O)C(=C1)C1=C(C)C(=O)C(OC)=CC1=O > InChI=1S/C16H14O7/c1-7-13(11(18)6-12(23-3)15(7)19)9-4-8(22-2)5-10(17)14(9)16(20)21/h4-6,17H,1-3H3,(H,20,21) > YQBGPKOVBZYWRB-UHFFFAOYSA-N > C16H14O7 > 318.281 > 318.073952791 > 7 > 37 > 30.50714597735207 > 1 > 2 > 0 > 1 > 2-hydroxy-4-methoxy-6-(4-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid > 1.64 > 2.5282681246666665 > -3.22 > 0 > 2 > -1 > 11.936051900074895 > 2.5502063128727115 > -4.597964392722154 > 110.13000000000001 > 82.25689999999999 > 4 > 1 > 1.92e-01 g/l > 2-hydroxy-4-methoxy-6-(4-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid > 0 > NP0329679 > 2-hydroxy-4-methoxy-6-(4-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid $$$$