Mrv1652309112222082D 17 18 0 0 0 0 999 V2000 0.0768 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 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 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 16 17 2 0 0 0 0 3 17 1 0 0 0 0 7 17 1 0 0 0 0 M END > NP0319220 > NP-MRD > COC1=C(O)OC2=CC=C(\C=C/C(O)=O)C=C12 > InChI=1S/C12H10O5/c1-16-11-8-6-7(3-5-10(13)14)2-4-9(8)17-12(11)15/h2-6,15H,1H3,(H,13,14)/b5-3- > AGFJNBHJAVOETC-HYXAFXHYSA-N > C12H10O5 > 234.207 > 234.052823422 > 4 > 27 > 22.54914016958508 > 1 > 2 > 0 > 1 > (2Z)-3-(2-hydroxy-3-methoxy-1-benzofuran-5-yl)prop-2-enoic acid > 1.9232640820000002 > 0 > 2 > -1 > 7.617034946603415 > 3.062601651386357 > -2.8891149118114563 > 79.9 > 59.598400000000005 > 3 > 1 > (2Z)-3-(2-hydroxy-3-methoxy-1-benzofuran-5-yl)prop-2-enoic acid > 0 > NP0319220 > (2z)-3-(2-hydroxy-3-methoxy-1-benzofuran-5-yl)prop-2-enoic acid $$$$