Mrv1652309062217282D 14 14 0 0 0 0 999 V2000 1.4289 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 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 -0.7145 -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 -2.1434 -1.2375 0.0000 O 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 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 2 0 0 0 0 5 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 8 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0233756 > NP-MRD > COC1=CC(=O)OC(\C=C\C=O)=C1C > InChI=1S/C10H10O4/c1-7-8(4-3-5-11)14-10(12)6-9(7)13-2/h3-6H,1-2H3/b4-3+ > AIRRMJKMFDZHMS-ONEGZZNKSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 19.20305001180759 > 1 > 0 > 0 > 1 > (2E)-3-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)prop-2-enal > 0.547234303 > 0 > 1 > 0 > -4.696956678020333 > 52.60000000000001 > 53.64440000000002 > 3 > 1 > (2E)-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)prop-2-enal > 0 > NP0233756 > (2e)-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)prop-2-enal $$$$