Mrv1533004161518492D 48 51 0 0 0 0 999 V2000 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 4 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 4 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 21 28 1 0 0 0 0 15 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 35 33 1 4 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 37 44 1 0 0 0 0 31 45 1 0 0 0 0 13 45 1 0 0 0 0 45 46 1 0 0 0 0 6 47 1 0 0 0 0 47 48 2 0 0 0 0 3 48 1 0 0 0 0 M END > NP0307960 > NP-MRD > COC1=CC=C(C=CC(=O)OCC2OC(OC(=O)C=CC3=CC=C(OC)C=C3)C(O)C(OC(=O)C=CC3=CC=C(OC)C=C3)C2O)C=C1 > InChI=1S/C36H36O12/c1-42-26-13-4-23(5-14-26)10-19-30(37)45-22-29-33(40)35(47-31(38)20-11-24-6-15-27(43-2)16-7-24)34(41)36(46-29)48-32(39)21-12-25-8-17-28(44-3)18-9-25/h4-21,29,33-36,40-41H,22H2,1-3H3 > ZZCPBHNNCLHZLW-UHFFFAOYSA-N > C36H36O12 > 660.672 > 660.220676599 > 9 > 84 > 68.87157065340712 > 0 > 2 > 0 > 0 > [3,5-dihydroxy-4,6-bis({[3-(4-methoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate > 4.37 > 5.696119139 > -5.33 > 1 > 4 > 0 > 13.200029647850023 > 12.23967128833442 > -3.664169207186249 > 156.28 > 174.01609999999994 > 16 > 0 > 3.07e-03 g/l > [3,5-dihydroxy-4,6-bis({[3-(4-methoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate > 0 > NP0307960 > [3,5-dihydroxy-4,6-bis({[3-(4-methoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate $$$$