Mrv1533004191517592D 64 71 0 0 0 0 999 V2000 3.6982 -2.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -2.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -3.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -4.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -3.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 -2.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -1.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -0.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 -0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 -0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -1.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -2.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -3.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -1.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 0.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 2.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 1.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 2.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 3.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 3.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 4.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 3.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 4.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 2.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 2.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 0.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 0.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -1.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -0.6388 0.0000 C 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 23 31 1 0 0 0 0 18 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 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 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 44 52 1 0 0 0 0 40 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 32 55 1 0 0 0 0 38 55 2 0 0 0 0 53 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 > NP0145261 > NP-MRD > OC1=CC=CC(=C1)C1OC2=CC(O)=CC(O)=C2C(C1OC(=O)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/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 > VIEACIFZWICDRE-UHFFFAOYSA-N > C44H34O20 > 882.736 > 882.164343495 > 18 > 98 > 84.12823040108182 > 0 > 14 > 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-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.88 > 6.284952780999999 > -3.85 > 1 > 8 > 0 > 8.320263772891602 > 7.771061132978591 > -5.548931352822994 > 354.28000000000003 > 218.03739999999996 > 9 > 0 > 1.25e-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-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0145261 > 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-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$