Mrv0541 05061309552D 66 73 0 0 0 0 999 V2000 4.2895 0.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -4.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 -0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 2.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 3.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 3.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 2.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 0.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 4.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 -4.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -3.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -0.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4939 -0.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 -0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 4.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 4.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1474 -3.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -5.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 3.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 2.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 0.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 4.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1474 -4.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 3.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -2.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 1.1524 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 12 2 0 0 0 0 19 18 1 0 0 0 0 20 9 1 0 0 0 0 21 12 1 0 0 0 0 22 1 1 0 0 0 0 23 2 2 0 0 0 0 24 3 1 0 0 0 0 25 4 2 0 0 0 0 26 5 1 0 0 0 0 27 6 2 0 0 0 0 28 7 1 0 0 0 0 29 8 2 0 0 0 0 30 10 2 0 0 0 0 31 11 1 0 0 0 0 32 20 2 0 0 0 0 32 30 1 0 0 0 0 33 21 2 0 0 0 0 34 32 1 0 0 0 0 34 33 1 0 0 0 0 35 22 2 0 0 0 0 35 23 1 0 0 0 0 36 24 2 0 0 0 0 36 25 1 0 0 0 0 37 26 2 0 0 0 0 37 27 1 0 0 0 0 38 28 2 0 0 0 0 38 29 1 0 0 0 0 39 13 1 0 0 0 0 39 31 1 0 0 0 0 40 14 1 0 0 0 0 41 18 2 0 0 0 0 41 33 1 0 0 0 0 42 34 1 0 0 0 0 42 40 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 29 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 1 0 0 0 0 60 38 1 0 0 0 0 61 43 2 0 0 0 0 62 44 2 0 0 0 0 63 30 1 0 0 0 0 63 40 1 0 0 0 0 64 31 1 0 0 0 0 64 43 1 0 0 0 0 65 39 1 0 0 0 0 65 41 1 0 0 0 0 66 42 1 0 0 0 0 66 44 1 0 0 0 0 M END > NP0203389 > 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)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2 > OBAZBWUNTJYECH-UHFFFAOYSA-N > C44H34O22 > 914.7276 > 914.154172772 > 20 > 85.97804636456239 > 0 > 16 > 0 > 0 > 4-[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-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.62 > 5.677822137666667 > -3.67 > 1 > 8 > 0 > 8.280599475672979 > 7.754570871075414 > -5.548931352822994 > 394.74000000000007 > 221.99920000000014 > 9 > 0 > 1.97e-01 g/l > 4-[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-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0203389 > 4-[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-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$