Mrv1533004181502462D 19 19 0 0 0 0 999 V2000 -4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 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 -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 -0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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 C 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 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 O 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 -4.2868 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 5.3625 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 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 5 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > NP0329700 > NP-MRD > COC1=CC(C=CC(=O)OCC(O)CO)=CC=C1O > InChI=1S/C13H16O6/c1-18-12-6-9(2-4-11(12)16)3-5-13(17)19-8-10(15)7-14/h2-6,10,14-16H,7-8H2,1H3 > QXRAHTFDPBQKIM-UHFFFAOYSA-N > C13H16O6 > 268.265 > 268.094688235 > 5 > 35 > 27.334204348260272 > 1 > 3 > 0 > 1 > 2,3-dihydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0.50 > 0.7336401079999998 > -2.68 > 0 > 1 > 0 > 13.618767631138155 > 9.867713253745691 > -2.9686917101118624 > 96.22000000000001 > 68.5279 > 7 > 1 > 5.54e-01 g/l > 2,3-dihydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0329700 > 2,3-dihydroxypropyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$