637775 -OEChem-03030912052D 28 28 0 0 0 0 0 0 0999 V2000 6.3301 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 4 16 1 0 0 0 0 4 28 1 0 0 0 0 5 16 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > 1 > 637775 > 1 > 249 > 5 > 2 > 4 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyDoAABgCIAiDSCAACCAAgIAAIiAAGiMgNJyKGMRqAcCMlwBULuYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA== > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid > (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid > (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid > InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ > PCMORTLOPMLEFB-ONEGZZNKSA-N > 1.5 > 224.068473 > C11H12O5 > 224.20998 > COC1=CC(=CC(=C1O)OC)C=CC(=O)O > COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O > 76 > 224.068473 > 0 > 16 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 7890641 > 1 > SMID > SXX > SINAPINATE SXX > SXX > http://smid.blueprint.org/ > http://smid.blueprint.org/SMInfo.php?hetname=SXX > 637775 1 > 6 10 8 6 11 8 7 10 8 7 9 8 8 11 8 8 9 8 $$$$