70557981 -OEChem-03282415482D 45 46 0 0 0 0 0 0 0999 V2000 5.4641 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 45 1 0 0 0 0 3 20 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 14 2 3 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 20 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > 70557981 > 1 > 371 > 3 > 1 > 8 > AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACCAAgIAAIiAEGCIgMJjKENRqCeCCkwBEIqAeIyPCOIAACAAAIAABAAAQAABAAAAAAAAAAAA== > 2-(4-benzyloxy-3-pent-1-enyl-phenyl)acetic acid > 2-(3-pent-1-enyl-4-phenylmethoxyphenyl)acetic acid > 2-(3-pent-1-enyl-4-phenylmethoxyphenyl)acetic acid > 2-(3-pent-1-enyl-4-phenylmethoxyphenyl)acetic acid > 2-(3-pent-1-enyl-4-phenylmethoxy-phenyl)ethanoic acid > 2-(4-benzoxy-3-pent-1-enyl-phenyl)acetic acid > InChI=1S/C20H22O3/c1-2-3-5-10-18-13-17(14-20(21)22)11-12-19(18)23-15-16-8-6-4-7-9-16/h4-13H,2-3,14-15H2,1H3,(H,21,22) > NFNSJTUAMSQJFV-UHFFFAOYSA-N > 5 > 310.15689456 > C20H22O3 > 310.4 > CCCC=CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2 > CCCC=CC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2 > 46.5 > 310.15689456 > 0 > 23 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 10 11 8 16 18 8 16 19 8 18 21 8 19 22 8 21 23 8 22 23 8 4 5 8 4 7 8 5 10 8 6 11 8 6 7 8 9 14 1 $$$$