Mrv1533004171513032D 30 34 0 0 0 0 999 V2000 5.4957 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 3.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 5.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 5.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 6.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 4.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 4.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 3.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 9 17 1 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 5 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 25 29 1 0 0 0 0 29 30 2 0 0 0 0 22 30 1 0 0 0 0 M END > NP0248817 > NP-MRD > CC(=O)OC(C1C(CC2=CC=C3OCOC3=C2)COC1=O)C1=CC=C2OCOC2=C1 > InChI=1S/C22H20O8/c1-12(23)30-21(14-3-5-17-19(8-14)29-11-27-17)20-15(9-25-22(20)24)6-13-2-4-16-18(7-13)28-10-26-16/h2-5,7-8,15,20-21H,6,9-11H2,1H3 > DZEVWDCBSHRAMT-UHFFFAOYSA-N > C22H20O8 > 412.394 > 412.115817604 > 6 > 50 > 40.17926352642665 > 1 > 0 > 0 > 1 > (2H-1,3-benzodioxol-5-yl)({4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl})methyl acetate > 2.78 > 2.826944424333333 > -4.36 > 1 > 5 > 0 > -4.438762164923202 > 89.52000000000001 > 100.79299999999999 > 6 > 1 > 1.79e-02 g/l > 2H-1,3-benzodioxol-5-yl[4-(2H-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate > 0 > NP0248817 > 2h-1,3-benzodioxol-5-yl[4-(2h-1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl acetate $$$$