69423539 -OEChem-04192416122D 60 62 0 1 0 0 0 0 0999 V2000 11.0000 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -1.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0000 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -0.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6340 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1077 -0.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4174 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4219 -1.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0234 -2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9030 -1.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -0.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0970 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1077 -1.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9030 -3.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -4.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -2.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -1.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 11 2 1 1 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 51 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 17 2 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 14 2 0 0 0 0 10 37 1 0 0 0 0 11 17 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 22 25 2 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 69423539 > 1 > 657 > 6 > 1 > 12 > AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAGgAACAAADFSgmAIyDoAABgCIAqDSCAICCAAkIAAIiAFGCMgNJjKENR6CeSClwBELqYfKzODOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2S)-3-[1-[3-(4-benzoylphenoxy)propoxy]cyclohexa-2,4-dien-1-yl]-2-methoxy-propanoic acid > (2S)-3-[1-[3-(4-benzoylphenoxy)propoxy]-1-cyclohexa-2,4-dienyl]-2-methoxypropanoic acid > (2S)-3-[1-[3-(4-benzoylphenoxy)propoxy]cyclohexa-2,4-dien-1-yl]-2-methoxypropanoic acid > (2S)-3-[1-[3-(4-benzoylphenoxy)propoxy]cyclohexa-2,4-dien-1-yl]-2-methoxypropanoic acid > (2S)-2-methoxy-3-[1-[3-[4-(phenylcarbonyl)phenoxy]propoxy]cyclohexa-2,4-dien-1-yl]propanoic acid > (2S)-3-[1-[3-(4-benzoylphenoxy)propoxy]cyclohexa-2,4-dien-1-yl]-2-methoxy-propionic acid > InChI=1S/C26H28O6/c1-30-23(25(28)29)19-26(15-6-3-7-16-26)32-18-8-17-31-22-13-11-21(12-14-22)24(27)20-9-4-2-5-10-20/h2-7,9-15,23H,8,16-19H2,1H3,(H,28,29)/t23-,26?/m0/s1 > JZZNUOUWXITIPW-ZZHFZYNASA-N > 4.6 > 436.18858861 > C26H28O6 > 436.5 > COC(CC1(CC=CC=C1)OCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O > CO[C@@H](CC1(CC=CC=C1)OCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O > 82.1 > 436.18858861 > 0 > 32 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 2 5 20 21 8 20 22 8 21 24 8 22 25 8 23 24 8 23 25 8 27 28 8 27 29 8 28 30 8 29 31 8 30 32 8 31 32 8 7 8 3 $$$$