Mrv1652309042223232D 14 14 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 C 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 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 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 0.7145 -0.4125 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 0.0000 0.0000 0.0000 C 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 0.8250 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 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 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 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 M END > NP0202205 > NP-MRD > C\C(=C/C(O)=O)C1=CC=C(C)C(=O)O1 > InChI=1S/C10H10O4/c1-6-3-4-8(14-10(6)13)7(2)5-9(11)12/h3-5H,1-2H3,(H,11,12)/b7-5+ > MQNNRPUVAMHCCO-FNORWQNLSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 19.1078096709077 > 1 > 1 > 0 > 1 > (2E)-3-(3-methyl-2-oxo-2H-pyran-6-yl)but-2-enoic acid > 1.387587221 > 0 > 1 > -1 > 4.374364528260044 > -6.988187306820555 > 63.60000000000001 > 52.28340000000001 > 2 > 1 > (2E)-3-(5-methyl-6-oxopyran-2-yl)but-2-enoic acid > 0 > NP0202205 > (2e)-3-(5-methyl-6-oxopyran-2-yl)but-2-enoic acid $$$$