5280802 -OEChem-03100914132D 27 27 0 0 0 0 0 0 0999 V2000 6.3301 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 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 3.1550 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 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 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 7.1962 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 15 2 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > 1 > 5280802 > 1 > 213 > 4 > 1 > 4 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCIAihSgAACCAAgIAAIiAAGiMgNJyKGMRqAcCMlwBULuYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA== > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal > (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal > (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal > (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein > InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ > CDICDSOGTRCHMG-ONEGZZNKSA-N > 1.4 > 208.073559 > C11H12O4 > 208.21058 > COC1=CC(=CC(=C1O)OC)C=CC=O > COC1=CC(=CC(=C1O)OC)/C=C/C=O > 55.8 > 208.073559 > 0 > 15 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 7932 > 6 > KEGG > C05610 > CAS: 4206-58-0 ChEBI: 27949 KNApSAcK: C00002775 3DMET: B00807 Is a reactant or product of enzyme EC 1.1.1.195 Is a reactant or product of enzyme EC 1.2.1.44 Is a reactant or product of enzyme EC 1.2.1.- Is a reactant or product of enzyme EC 2.1.1.68 > 4206-58-0 C05610 Sinapaldehyde Sinapoyl aldehyde > 4206-58-0 > C05610 > http://www.genome.jp/kegg/ > http://www.genome.jp/dbget-bin/www_bget?cpd+C05610 > 5280802 1 > 5 10 8 5 9 8 6 8 8 6 9 8 7 10 8 7 8 8 $$$$