Mrv1652309122209442D 64 71 0 0 1 0 999 V2000 1.5301 -1.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -1.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -2.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5301 -3.0831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2446 -2.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -3.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -2.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -1.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -3.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7644 -4.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -4.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -5.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7490 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 -4.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 -3.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 -4.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 -4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2104 -4.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -5.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2339 -5.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8983 -6.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -6.5263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4703 -7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 -8.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 -8.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 -9.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 -8.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -7.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 -5.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8785 -5.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -5.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -4.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -6.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 -6.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -7.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -8.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -8.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -6.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 -6.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -5.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -4.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5301 -3.9081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8157 -4.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -5.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -6.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -5.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -5.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -4.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -3.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -1.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -1.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -0.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 -0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 12 1 1 0 0 0 13 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 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 35 43 1 0 0 0 0 12 44 2 0 0 0 0 6 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 4 46 1 0 0 0 0 46 47 1 6 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 47 55 1 0 0 0 0 2 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 2 0 0 0 0 56 64 1 0 0 0 0 M END > NP0326302 > NP-MRD > OC1=CC(=CC=C1)[C@H]1OC2=CC(O)=CC(O)=C2[C@@H]([C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=C2O[C@@H]([C@@H](CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C44H34O20/c45-19-3-1-2-15(4-19)40-42(64-44(60)18-9-29(54)38(58)30(55)10-18)35(33-23(48)11-20(46)12-31(33)61-40)34-24(49)14-22(47)21-13-32(62-43(59)17-7-27(52)37(57)28(53)8-17)39(63-41(21)34)16-5-25(50)36(56)26(51)6-16/h1-12,14,32,35,39-40,42,45-58H,13H2/t32-,35-,39-,40-,42-/m1/s1 > VIEACIFZWICDRE-WZPNJOEPSA-N > C44H34O20 > 882.736 > 882.164343495 > 18 > 98 > 80.95894378883824 > 0 > 14 > 0 > 0 > (2R,3R,4R)-4-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 6.284952780999999 > 1 > 8 > 0 > 8.320263772891602 > 7.771061132978591 > -5.548931352822994 > 354.28000000000003 > 218.03740000000002 > 9 > 0 > (2R,3R,4R)-4-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0326302 > (2r,3r,4r)-4-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$