8468 -OEChem-04150811232D 20 20 0 0 0 0 0 0 0999 V2000 2.8660 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 M END > 1 > 8468 > 1 > 168 > 4 > 2 > 2 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyDoAABgCIAiDSCAACCAAkIAAIiAEGiMgNJjKGNRqAcSMkwBELuYfK7DTOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 4-hydroxy-3-methoxy-benzoic acid > 4-hydroxy-3-methoxybenzoic acid > 4-hydroxy-3-methoxybenzoic acid > 4-hydroxy-3-methoxy-benzoic acid > 4-hydroxy-3-methoxy-benzoic acid > InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/f/h10H > 1.1 > 168.042259 > C8H8O4 > 168.14672 > COC1=C(C=CC(=C1)C(=O)O)O > COC1=C(C=CC(=C1)C(=O)O)O > 66.8 > 168.042259 > 0 > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 8897 > 4 > KEGG > C06672 > CAS: 121-34-6 ChEBI: 30816 CCD: VNL 3DMET: B01021 Is a reactant or product of enzyme EC 1.2.1.67 Is a reactant or product of enzyme EC 1.2.3.9 Is a reactant or product of enzyme EC 1.2.3.- Is a reactant or product of enzyme EC 1.14.13.82 > 121-34-6 4-Hydroxy-3-methoxybenzoate 4-Hydroxy-3-methoxybenzoic acid C06672 Vanillate > 121-34-6 > C06672 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C06672 > 8468 1 > 5 7 8 5 8 8 6 7 8 6 9 8 8 10 8 9 10 8 $$$$