Mrv1533004251507372D 30 31 0 0 0 0 999 V2000 5.0013 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.0750 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 2 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 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 13 14 2 0 0 0 0 15 13 1 4 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 17 24 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > NP0261759 > NP-MRD > CC(CC(C)=O)OC1OC(COC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O)C1O > InChI=1S/C20H26O10/c1-10(21)7-11(2)29-20-19(27)18(26)17(25)15(30-20)9-28-16(24)6-4-12-3-5-13(22)14(23)8-12/h3-6,8,11,15,17-20,22-23,25-27H,7,9H2,1-2H3 > RFFXQZNPTJZPGP-UHFFFAOYSA-N > C20H26O10 > 426.418 > 426.152597037 > 9 > 56 > 42.4776363437351 > 1 > 5 > 0 > 1 > {3,4,5-trihydroxy-6-[(4-oxopentan-2-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate > 0.43 > 0.598543952333334 > -2.41 > 0 > 2 > 0 > 12.067122376300091 > 9.208204889095988 > -3.6490924758512433 > 162.98 > 102.95800000000001 > 9 > 1 > 1.66e+00 g/l > {3,4,5-trihydroxy-6-[(4-oxopentan-2-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate > 0 > NP0261759 > {3,4,5-trihydroxy-6-[(4-oxopentan-2-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate $$$$