Mrv1533004241505032D 54 59 0 0 0 0 999 V2000 4.9742 -13.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4893 -12.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 -11.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3399 -11.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -10.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -10.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -10.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -11.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 -12.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 -9.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 -9.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 -8.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -8.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -7.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -7.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0751 -7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -6.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -6.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 -5.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 -5.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -5.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 -4.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -5.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6272 -6.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9243 -5.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 -4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 -3.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9664 -2.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 -2.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 -2.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 -1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -2.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4159 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3857 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 1.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7213 0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5418 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8773 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 -3.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -4.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3452 -5.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 -5.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -5.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -8.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2301 -8.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 -9.1971 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 5 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 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 18 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 16 24 1 0 0 0 0 23 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 28 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 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 33 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 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 42 45 2 0 0 0 0 37 45 1 0 0 0 0 27 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 2 0 0 0 0 25 50 1 0 0 0 0 50 51 1 0 0 0 0 13 52 1 0 0 0 0 10 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0276291 > NP-MRD > COC1=CC(=CC=C1O)C1OCC(O)(CC2=CC(OC)=C(O)C(=C2)C2=CC(CC3(O)COC(C3CO)C3=CC=C(O)C(OC)=C3)=CC(OC)=C2O)C1CO > InChI=1S/C40H46O14/c1-49-31-13-23(5-7-29(31)43)37-27(17-41)39(47,19-53-37)15-21-9-25(35(45)33(11-21)51-3)26-10-22(12-34(52-4)36(26)46)16-40(48)20-54-38(28(40)18-42)24-6-8-30(44)32(14-24)50-2/h5-14,27-28,37-38,41-48H,15-20H2,1-4H3 > SZBZRBDIQDAGDJ-UHFFFAOYSA-N > C40H46O14 > 750.794 > 750.288756161 > 14 > 100 > 76.47321970360451 > 0 > 8 > 0 > 0 > 3-{[4-hydroxy-3-(2-hydroxy-5-{[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-3-methoxyphenyl)-5-methoxyphenyl]methyl}-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-ol > 2.81 > 2.644066408000001 > -4.27 > 1 > 6 > 0 > 9.668382506255202 > 9.176726450147353 > -2.675333886002427 > 217.21999999999997 > 195.646 > 13 > 0 > 4.04e-02 g/l > 3-{[4-hydroxy-3-(2-hydroxy-5-{[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-3-methoxyphenyl)-5-methoxyphenyl]methyl}-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-ol > 0 > NP0276291 > 5,5'-bis({[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl})-3,3'-dimethoxy-[1,1'-biphenyl]-2,2'-diol $$$$