Mrv1652309122216152D 20 20 0 0 0 0 999 V2000 2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 2 0 0 0 0 7 20 1 0 0 0 0 M END > NP0329667 > NP-MRD > COC(=O)\C=C\C1=CC=C(OC)C(C\C=C(/C)CO)=C1 > InChI=1S/C16H20O4/c1-12(11-17)4-7-14-10-13(5-8-15(14)19-2)6-9-16(18)20-3/h4-6,8-10,17H,7,11H2,1-3H3/b9-6+,12-4+ > MBVNGKCANVTTFZ-IKQKLUSLSA-N > C16H20O4 > 276.332 > 276.136159124 > 3 > 40 > 30.5397513870116 > 1 > 1 > 0 > 1 > methyl (2E)-3-{3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-4-methoxyphenyl}prop-2-enoate > 2.805438226333334 > 0 > 1 > 0 > 15.166893659316209 > -2.72580071341509 > 55.760000000000005 > 80.3097 > 7 > 1 > methyl (2E)-3-{3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-4-methoxyphenyl}prop-2-enoate > 0 > NP0329667 > methyl (2e)-3-{3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-4-methoxyphenyl}prop-2-enoate $$$$