Mrv1533004191521002D 44 47 0 0 0 0 999 V2000 0.0565 2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2406 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 -0.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5798 -2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 -3.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -3.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -4.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -4.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 -5.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -6.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -6.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 -6.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1468 -6.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 -7.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -7.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 -8.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7577 -7.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2426 -8.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3919 -10.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2124 -9.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6973 -10.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3618 -11.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5480 -9.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0631 -8.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3986 -7.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9137 -7.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 -8.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 -9.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -8.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4456 -9.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 -8.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -8.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -5.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -5.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 1.5970 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 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 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 23 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 21 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 19 37 1 0 0 0 0 37 38 1 0 0 0 0 16 39 1 0 0 0 0 12 39 1 0 0 0 0 39 40 1 0 0 0 0 5 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 3 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > NP0193664 > NP-MRD > COC1=CC(C=CC(=O)OCC2(O)COC(OCC3OC(OC4=CC=C(CO)C=C4OC)C(O)C(O)C3O)C2O)=CC=C1O > InChI=1S/C29H36O15/c1-38-19-9-15(3-6-17(19)31)5-8-22(32)41-13-29(37)14-42-28(26(29)36)40-12-21-23(33)24(34)25(35)27(44-21)43-18-7-4-16(11-30)10-20(18)39-2/h3-10,21,23-28,30-31,33-37H,11-14H2,1-2H3 > ZZIUHYJXYFZBKH-UHFFFAOYSA-N > C29H36O15 > 624.592 > 624.205420459 > 14 > 80 > 61.953123186745756 > 0 > 7 > 0 > 0 > [3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0.51 > -0.22725356133333355 > -3.12 > 1 > 4 > 0 > 11.69493807885182 > 9.861297360946999 > -2.8257256421166046 > 223.29 > 148.14440000000002 > 13 > 0 > 4.71e-01 g/l > [3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0193664 > [3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$