Mrv1533004251505252D 54 59 0 0 0 0 999 V2000 0.5197 -0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 1.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -1.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 -0.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 0.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 2.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -3.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0702 -3.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 -4.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 -4.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 -4.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -5.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -6.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1265 -7.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 -7.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 -7.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8568 -6.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -6.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -5.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6658 -2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 -1.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6324 -0.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6436 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 0.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -0.2788 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 10 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 12 25 1 0 0 0 0 3 26 1 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 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 31 39 1 0 0 0 0 27 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 2 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 46 54 1 0 0 0 0 M END > NP0235922 > NP-MRD > OC1C(COC(=O)C2CC(=O)C3=C2C2=C(O)C(O)=C(O)C=C2C(=O)O3)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C33H26O21/c34-12-1-8(2-13(35)21(12)40)29(46)53-28-24(43)18(51-33(26(28)45)54-30(47)9-3-14(36)22(41)15(37)4-9)7-50-31(48)11-6-17(39)27-20(11)19-10(32(49)52-27)5-16(38)23(42)25(19)44/h1-5,11,18,24,26,28,33-38,40-45H,6-7H2 > GRJMTVYIYMQLED-UHFFFAOYSA-N > C33H26O21 > 758.55 > 758.096657857 > 17 > 80 > 69.06675453862213 > 0 > 11 > 0 > 0 > [3,5-dihydroxy-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-1-carboxylate > 2.51 > 1.3154664596666668 > -2.75 > 1 > 6 > -1 > 7.611409461388363 > 6.618409874076687 > -5.548940838228238 > 354.03000000000003 > 170.9913 > 10 > 0 > 1.35e+00 g/l > [3,5-dihydroxy-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H-cyclopenta[c]isochromene-1-carboxylate > 0 > NP0235922 > [3,5-dihydroxy-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 7,8,9-trihydroxy-3,5-dioxo-1h,2h-cyclopenta[c]isochromene-1-carboxylate $$$$