Mrv0541 05061312312D 64 71 0 0 0 0 999 V2000 -2.8192 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3834 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 0.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -3.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 -2.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 2.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -3.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -2.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -3.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -2.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 -1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6519 -3.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -3.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -4.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 -4.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -4.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 -5.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 1.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 1.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 1.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 2.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 2.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 4.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 5.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 5.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 6.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 4.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -2.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 -0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 -0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 -1.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 14 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 51 1 0 0 0 0 48 49 1 0 0 0 0 48 52 1 0 0 0 0 49 50 2 0 0 0 0 49 53 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 2 0 0 0 0 60 64 1 0 0 0 0 M END > NP0157925 > NP-MRD > OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2OC(C(CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1 > InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2 > KTLUHRSHFRODPS-UHFFFAOYSA-N > C44H34O20 > 882.7288 > 882.164343528 > 18 > 84.17071255082391 > 0 > 14 > 0 > 0 > 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.90 > 6.284952780999999 > -3.90 > 1 > 8 > 0 > 8.321955795340456 > 7.7725819856569 > -5.485687933076162 > 354.28000000000003 > 218.03740000000005 > 9 > 0 > 1.10e-01 g/l > 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0157925 > 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$