Mrv0541 05061310592D 66 73 0 0 0 0 999 V2000 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 -2.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6567 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2504 -3.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 -4.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -4.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0473 -3.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 -5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 -4.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 1 2 0 0 0 0 13 2 1 0 0 0 0 14 3 2 0 0 0 0 14 4 1 0 0 0 0 15 5 2 0 0 0 0 15 6 1 0 0 0 0 16 7 2 0 0 0 0 16 8 1 0 0 0 0 17 9 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 9 1 0 0 0 0 20 12 2 0 0 0 0 21 1 1 0 0 0 0 22 2 2 0 0 0 0 23 3 1 0 0 0 0 24 4 2 0 0 0 0 25 5 1 0 0 0 0 26 6 2 0 0 0 0 27 7 1 0 0 0 0 28 8 2 0 0 0 0 29 12 1 0 0 0 0 29 18 2 0 0 0 0 30 10 2 0 0 0 0 31 11 1 0 0 0 0 32 19 2 0 0 0 0 32 30 1 0 0 0 0 33 20 1 0 0 0 0 34 32 1 0 0 0 0 34 33 1 0 0 0 0 35 18 1 0 0 0 0 35 33 2 0 0 0 0 36 21 2 0 0 0 0 36 22 1 0 0 0 0 37 23 2 0 0 0 0 37 24 1 0 0 0 0 38 25 2 0 0 0 0 38 26 1 0 0 0 0 39 27 2 0 0 0 0 39 28 1 0 0 0 0 40 13 1 0 0 0 0 40 31 1 0 0 0 0 41 14 1 0 0 0 0 42 34 1 0 0 0 0 42 41 1 0 0 0 0 43 15 1 0 0 0 0 44 16 1 0 0 0 0 45 17 1 0 0 0 0 46 19 1 0 0 0 0 47 20 1 0 0 0 0 48 21 1 0 0 0 0 49 22 1 0 0 0 0 50 23 1 0 0 0 0 51 24 1 0 0 0 0 52 25 1 0 0 0 0 53 26 1 0 0 0 0 54 27 1 0 0 0 0 55 28 1 0 0 0 0 56 35 1 0 0 0 0 57 36 1 0 0 0 0 58 37 1 0 0 0 0 59 38 1 0 0 0 0 60 39 1 0 0 0 0 61 43 2 0 0 0 0 62 44 2 0 0 0 0 63 29 1 0 0 0 0 63 40 1 0 0 0 0 64 30 1 0 0 0 0 64 41 1 0 0 0 0 65 31 1 0 0 0 0 65 43 1 0 0 0 0 66 42 1 0 0 0 0 66 44 1 0 0 0 0 M END > NP0145719 > NP-MRD > OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1)C1=C(O)C2=C(OC(C(C2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C=C1O > InChI=1S/C44H34O22/c45-17-9-19(46)32-30(10-17)64-41(14-3-23(50)37(58)24(51)4-14)42(66-44(62)16-7-27(54)39(60)28(55)8-16)34(32)33-20(47)12-29-18(35(33)56)11-31(40(63-29)13-1-21(48)36(57)22(49)2-13)65-43(61)15-5-25(52)38(59)26(53)6-15/h1-10,12,31,34,40-42,45-60H,11H2 > LXQFRGHXODSYNA-UHFFFAOYSA-N > C44H34O22 > 914.7276 > 914.154172772 > 20 > 87.13170617416598 > 0 > 16 > 0 > 0 > 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.63 > 5.677822137666667 > -3.67 > 1 > 8 > 0 > 8.280599498830911 > 7.754570882232167 > -5.548931352819229 > 394.74000000000007 > 221.99920000000014 > 9 > 0 > 1.96e-01 g/l > 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0145719 > 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-6-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$