Mrv1533004241506072D 9 8 0 0 0 0 999 V2000 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 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 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 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 2 4 1 0 0 0 0 5 2 1 4 0 0 0 5 6 2 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 M END > NP0214570 > NP-MRD > CC(C)(O)C=CC(O)=O > InChI=1S/C6H10O3/c1-6(2,9)4-3-5(7)8/h3-4,9H,1-2H3,(H,7,8) > PDFAAQLHHBQRPO-UHFFFAOYSA-N > C6H10O3 > 130.143 > 130.062994182 > 3 > 19 > 13.152847313764696 > 1 > 2 > 0 > 0 > 4-hydroxy-4-methylpent-2-enoic acid > 0.34 > 0.3359628236666667 > -0.14 > 0 > 0 > -1 > 15.034426416373428 > 4.744174136929202 > -2.8136346093696085 > 57.53 > 33.7966 > 2 > 1 > 9.50e+01 g/l > 4-hydroxy-4-methylpent-2-enoic acid > 0 > NP0214570 > 4-hydroxy-4-methylpent-2-enoic acid $$$$