Mrv1533004241515102D 9 9 0 0 0 0 999 V2000 1.1198 1.7274 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 0.0157 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 2.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 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 0 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 -0.0997 0.6294 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 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 2 9 1 0 0 0 0 M END > NP0289771 > NP-MRD > CC1(CO)OC(=O)C=C1 > InChI=1S/C6H8O3/c1-6(4-7)3-2-5(8)9-6/h2-3,7H,4H2,1H3 > YWBPYSCGWZUZTP-UHFFFAOYSA-N > C6H8O3 > 128.127 > 128.047344118 > 2 > 17 > 12.229746588135782 > 1 > 1 > 0 > 0 > 5-(hydroxymethyl)-5-methyl-2,5-dihydrofuran-2-one > 0.16 > 0.1868573149999997 > 0.20 > 0 > 1 > 0 > 14.307151670557971 > -3.101851859297942 > 46.53 > 31.848100000000002 > 1 > 1 > 2.03e+02 g/l > 5-(hydroxymethyl)-5-methylfuran-2-one > 0 > NP0289771 > 5-(hydroxymethyl)-5-methylfuran-2-one $$$$