Mrv1533004191517422D 28 28 0 0 0 0 999 V2000 -4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 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 -1.4289 1.6500 0.0000 O 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 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 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 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 5.3625 0.0000 O 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 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 4 0 0 0 14 15 2 0 0 0 0 16 15 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 3 0 0 0 0 19 20 1 0 0 0 0 20 21 3 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 4 0 0 0 5 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0252336 > NP-MRD > COC1=CC(C=CC(=O)OCCCC=CC=CC#CC#CC=CC)=CC=C1O > InChI=1S/C24H24O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-28-24(26)18-16-21-15-17-22(25)23(20-21)27-2/h3-4,9-12,15-18,20,25H,13-14,19H2,1-2H3 > ZCZQSRLWRJBEDP-UHFFFAOYSA-N > C24H24O4 > 376.452 > 376.167459253 > 3 > 52 > 44.627569189138036 > 0 > 1 > 0 > 0 > tetradeca-4,6,12-trien-8,10-diyn-1-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 5.85 > 5.907311086 > -5.09 > 0 > 1 > 0 > 9.867806850597646 > -4.8887122982218765 > 55.760000000000005 > 118.22930000000002 > 12 > 0 > 3.04e-03 g/l > tetradeca-4,6,12-trien-8,10-diyn-1-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0252336 > tetradeca-4,6,12-trien-8,10-diyn-1-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$