24818332 -OEChem-03192402012D 56 58 0 0 0 0 0 0 0999 V2000 5.1350 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 30 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 14 2 0 0 0 0 5 32 1 0 0 0 0 5 56 1 0 0 0 0 6 32 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 32 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 31 2 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > 24818332 > 1 > 615 > 6 > 1 > 11 > AAADceB4OABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgQACAAADASk2AKyDoAABgiIAqDSCAACCAAkIBAIiAEGCMgMJjKkNRqCOSCkwBEoqYeIzPDOIAADAAAIAABAAAYAABAAAAAAAAAAAA== > 2-[[5-[(E)-3-(3-benzyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid > 2-[[2-methoxy-5-[(E)-1-oxo-3-(3-phenylmethoxyphenyl)prop-2-enyl]phenyl]methylthio]acetic acid > 2-[[2-methoxy-5-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid > 2-[[2-methoxy-5-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid > 2-[[2-methoxy-5-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid > 2-[[5-[(E)-3-(3-benzoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid > InChI=1S/C26H24O5S/c1-30-25-13-11-21(15-22(25)17-32-18-26(28)29)24(27)12-10-19-8-5-9-23(14-19)31-16-20-6-3-2-4-7-20/h2-15H,16-18H2,1H3,(H,28,29)/b12-10+ > ARMMUHBKBQDJQN-ZRDIBKRKSA-N > 5.2 > 448.13444504 > C26H24O5S > 448.5 > COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OCC3=CC=CC=C3)CSCC(=O)O > COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)CSCC(=O)O > 98.1 > 448.13444504 > 0 > 32 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 12 13 8 15 18 8 15 22 8 16 18 8 16 23 8 21 25 8 21 26 8 22 24 8 23 24 8 25 28 8 26 29 8 28 31 8 29 31 8 7 10 8 7 9 8 8 12 8 8 9 8 $$$$