69275227 -OEChem-03292405452D 39 39 0 1 0 0 0 0 0999 V2000 4.5981 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 19 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > 69275227 > 1 > 293 > 4 > 1 > 8 > AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIyDoAABgCIAqDSCAICCAAkIAAIiAFGCMgNJjKENR6CeSCkwBELqYeIzODOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 2-(4-pentanoylphenoxy)butanoic acid > 2-[4-(1-oxopentyl)phenoxy]butanoic acid > 2-(4-pentanoylphenoxy)butanoic acid > 2-(4-pentanoylphenoxy)butanoic acid > 2-(4-pentanoylphenoxy)butanoic acid > 2-(4-valerylphenoxy)butyric acid > InChI=1S/C15H20O4/c1-3-5-6-13(16)11-7-9-12(10-8-11)19-14(4-2)15(17)18/h7-10,14H,3-6H2,1-2H3,(H,17,18) > FXVIZLLJDWXHFU-UHFFFAOYSA-N > 3.5 > 264.13615911 > C15H20O4 > 264.32 > CCCCC(=O)C1=CC=C(C=C1)OC(CC)C(=O)O > CCCCC(=O)C1=CC=C(C=C1)OC(CC)C(=O)O > 63.6 > 264.13615911 > 0 > 19 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 15 8 12 16 8 12 17 8 14 16 8 15 17 8 8 11 3 $$$$