Mrv1533004231523552D 21 22 0 0 0 0 999 V2000 2.8579 -3.3000 0.0000 O 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 3.5724 -4.5375 0.0000 C 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 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 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 1 0 0 0 0 9 10 3 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 11 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > NP0263573 > NP-MRD > OC1=CC=C(C=CCC#CC2=CC=C(O)C(O)=C2)C=C1O > InChI=1S/C17H14O4/c18-14-8-6-12(10-16(14)20)4-2-1-3-5-13-7-9-15(19)17(21)11-13/h2,4,6-11,18-21H,1H2 > JQPOMMNEABQHEU-UHFFFAOYSA-N > C17H14O4 > 282.295 > 282.089208931 > 4 > 35 > 30.12527434582413 > 1 > 4 > 0 > 1 > 4-[5-(3,4-dihydroxyphenyl)pent-1-en-4-yn-1-yl]benzene-1,2-diol > 3.22 > 3.9345382243333336 > -4.12 > 0 > 2 > 0 > 9.5573328511184 > 8.954053232125682 > -6.255257111310894 > 80.92 > 79.6693 > 4 > 1 > 2.15e-02 g/l > 4-[5-(3,4-dihydroxyphenyl)pent-1-en-4-yn-1-yl]benzene-1,2-diol > 0 > NP0263573 > 4-[5-(3,4-dihydroxyphenyl)pent-4-en-1-yn-1-yl]benzene-1,2-diol $$$$