Mrv1533004251514462D 63 67 0 0 0 0 999 V2000 -4.1859 -10.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 -9.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0365 -8.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 -8.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 -7.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2227 -6.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7378 -6.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -6.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 -6.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -5.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 -5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -4.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1624 -3.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2243 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -2.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9892 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 2.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 -3.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -4.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 -5.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 -3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 -3.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4325 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 -1.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 -1.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -3.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -5.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 -4.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 -4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -3.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -3.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1023 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 -4.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -5.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 -6.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 -5.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -5.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -7.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -8.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -9.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -9.8266 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 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 24 26 1 0 0 0 0 26 27 2 0 0 0 0 21 27 1 0 0 0 0 14 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 14 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 47 45 1 4 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 54 57 2 0 0 0 0 49 57 1 0 0 0 0 43 58 1 0 0 0 0 12 58 1 0 0 0 0 58 59 1 0 0 0 0 5 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 3 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > NP0287091 > NP-MRD > COC1=CC(C=CC(=O)OCC2OC(COC(=O)C=CC3=CC=C(O)C=C3)(OC3OC(CO)C(O)C(O)C3OC(C)=O)C(OC(=O)C=CC3=CC=C(O)C(OC)=C3)C2O)=CC=C1O > InChI=1S/C43H46O20/c1-23(45)59-40-39(54)37(52)32(20-44)60-42(40)63-43(22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(61-36(51)17-10-26-7-14-29(48)31(19-26)56-3)38(53)33(62-43)21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3 > JFUNTNHRWXZULB-UHFFFAOYSA-N > C43H46O20 > 882.821 > 882.258243881 > 16 > 109 > 87.73627543938562 > 0 > 7 > 0 > 0 > (5-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 3.07 > 3.787924104333333 > -4.25 > 1 > 5 > 0 > 9.723164441026599 > 9.173355824625661 > -2.9810855582710785 > 292.96 > 215.49780000000004 > 21 > 0 > 4.93e-02 g/l > (5-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0287091 > (5-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$