Mrv1533004161520102D 19 19 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 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 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 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 2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 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 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 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 0.0000 0.8250 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 -0.7145 2.0625 0.0000 O 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 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -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 1 0 0 0 0 3 4 2 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 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 4 0 0 0 M END > NP0202525 > NP-MRD > COC1=C(COC(C)=O)C(=O)OC(C=CC)=C1C=O > InChI=1S/C13H14O6/c1-4-5-11-9(6-14)12(17-3)10(13(16)19-11)7-18-8(2)15/h4-6H,7H2,1-3H3 > OEJSTEMKJGRPOJ-UHFFFAOYSA-N > C13H14O6 > 266.249 > 266.079038171 > 4 > 33 > 26.408098115985574 > 1 > 0 > 0 > 1 > [5-formyl-4-methoxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl]methyl acetate > 1.59 > 0.2553282636666663 > -3.29 > 0 > 1 > 0 > -4.873450052905591 > 78.9 > 69.00280000000002 > 6 > 1 > 1.36e-01 g/l > [5-formyl-4-methoxy-2-oxo-6-(prop-1-en-1-yl)pyran-3-yl]methyl acetate > 0 > NP0202525 > [5-formyl-4-methoxy-2-oxo-6-(prop-1-en-1-yl)pyran-3-yl]methyl acetate $$$$