Mrv1533004161502432D 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 -2.8875 0.0000 O 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 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 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 3 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 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 8 14 1 0 0 0 0 M END > NP0271658 > NP-MRD > COC(=O)CC(=O)C1=CC=C(O)C=C1 > InChI=1S/C10H10O4/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3 > VZOFEVHSVUBEPH-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 3 > 24 > 19.364841597363565 > 1 > 1 > 0 > 1 > methyl 3-(4-hydroxyphenyl)-3-oxopropanoate > 1.49 > 1.265450515 > -2.06 > 0 > 1 > 0 > 11.497271948559334 > 7.744088731817064 > -6.931495868979494 > 63.60000000000001 > 49.5549 > 4 > 1 > 1.70e+00 g/l > methyl 3-(4-hydroxyphenyl)-3-oxopropanoate > 0 > NP0271658 > methyl 3-(4-hydroxyphenyl)-3-oxopropanoate $$$$