Mrv1652309112204152D 63 70 0 0 0 0 999 V2000 -2.7896 0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 0.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -1.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -3.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -3.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -3.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -3.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -3.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -2.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 -3.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 -4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -4.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -4.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -5.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 -5.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -4.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 -4.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 -4.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 -5.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7486 -5.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 -6.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 -7.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -7.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -7.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -8.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -9.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -9.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -10.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -8.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -7.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -6.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -6.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -6.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 -5.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 -6.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 -6.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -7.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -7.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 -7.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -8.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -7.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 -8.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -4.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -4.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -6.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 -6.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 -4.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 -2.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -2.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -0.7592 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 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 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 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 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 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 29 35 1 0 0 0 0 28 36 1 0 0 0 0 18 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 38 46 1 0 0 0 0 46 47 1 0 0 0 0 17 48 2 0 0 0 0 11 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 9 50 1 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 53 54 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 51 57 1 0 0 0 0 5 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 59 62 2 0 0 0 0 3 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > NP0308466 > NP-MRD > COC1=CC(=CC(OC)=C1O)C(=O)OC1CC2=C(O)C=C(O)C(C3C(OC4OC(C)C(O)C(O)C4O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C=C3)=C2OC1C1=CC=C(O)C=C1 > InChI=1S/C45H44O18/c1-18-36(52)38(54)39(55)45(59-18)63-43-35(33-27(50)14-24(48)15-29(33)60-41(43)20-6-10-23(47)11-7-20)34-28(51)17-26(49)25-16-32(40(62-42(25)34)19-4-8-22(46)9-5-19)61-44(56)21-12-30(57-2)37(53)31(13-21)58-3/h4-15,17-18,32,35-36,38-41,43,45-55H,16H2,1-3H3 > FVIMBWQYQRCVOG-UHFFFAOYSA-N > C45H44O18 > 872.829 > 872.252764577 > 17 > 107 > 85.75940676307869 > 0 > 10 > 0 > 0 > 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxy-3,5-dimethoxybenzoate > 4.875341973666666 > 1 > 8 > 0 > 8.842488912618128 > 8.258409895828388 > -3.947502270932117 > 283.97999999999996 > 218.14509999999999 > 10 > 0 > 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxy-3,5-dimethoxybenzoate > 0 > NP0308466 > 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2h-1-benzopyran-4-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 4-hydroxy-3,5-dimethoxybenzoate $$$$