Mrv1533004251512282D 26 27 0 0 0 0 999 V2000 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 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 2.8579 -1.6500 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 2.1434 -2.8875 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 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 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 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 11 22 1 0 0 0 0 22 23 2 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 6 25 1 0 0 0 0 2 26 1 0 0 0 0 M END > NP0203657 > NP-MRD > CC(C)=CCOC1=CC=C(CC2NC(=O)C(COC(C)=O)NC2=O)C=C1 > InChI=1S/C19H24N2O5/c1-12(2)8-9-25-15-6-4-14(5-7-15)10-16-18(23)21-17(19(24)20-16)11-26-13(3)22/h4-8,16-17H,9-11H2,1-3H3,(H,20,24)(H,21,23) > KTBSCUNHJHKRPA-UHFFFAOYSA-N > C19H24N2O5 > 360.41 > 360.168521881 > 4 > 50 > 36.90011706955904 > 1 > 2 > 0 > 1 > [5-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dioxopiperazin-2-yl]methyl acetate > 1.76 > 1.1810786406666665 > -3.63 > 0 > 2 > 0 > 11.475093381215968 > 10.370506928660994 > -4.521068508036301 > 93.72999999999999 > 95.49040000000001 > 8 > 1 > 8.45e-02 g/l > [5-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dioxopiperazin-2-yl]methyl acetate > 0 > NP0203657 > [3,6-dihydroxy-5-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-2,5-dihydropyrazin-2-yl]methyl acetate $$$$