Mrv2104 05272302222D 11 11 0 0 0 0 999 V2000 -0.1467 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 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 1 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 7 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 4 11 1 0 0 0 0 M CHG 1 8 -1 M END > NP0339845 > NP-MRD > CCCC1OC(C)=C([O-])C1=O > InChI=1/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3/p-1 > DBYQGTLFSQKPCA-UHFFFAOYNA-M > C8H11O3 > 155.174 > 155.071367794 > 3 > 22 > 16.21823614878977 > 1 > 0 > -1 > 0 > 2-methyl-4-oxo-5-propyl-4,5-dihydrofuran-3-olate > 1.1758537539999994 > 0 > 1 > 0 > 10.638808866788477 > 7.8800539060526225 > -4.242902790941002 > 49.36 > 52.968 > 2 > 1 > 2-methyl-4-oxo-5-propyl-5H-furan-3-olate > 0 > NP0339845 > 4-hydroxy-5-methyl-2-propyl-3(2H)-furanone $$$$