Mrv1572004251604042D 91 99 0 0 0 0 999 V2000 3.1595 -2.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -2.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 3.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 3.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -1.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 3.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -3.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -3.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 4.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 4.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -2.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -3.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 2.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 -1.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -3.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -3.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 5.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 -3.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 5.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 -2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 1.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 1.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 2.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 -1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 -0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 2.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 -0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6176 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 3.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7610 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6176 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7610 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0466 -1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0466 -0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 3.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 -1.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0466 -2.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0466 0.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 -0.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6176 0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 1.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -8.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -8.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -8.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -8.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -9.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 1 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 2 2 0 0 0 0 13 3 1 0 0 0 0 14 4 2 0 0 0 0 15 5 1 0 0 0 0 16 6 2 0 0 0 0 17 7 1 0 0 0 0 18 11 2 0 0 0 0 18 12 1 0 0 0 0 19 13 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 24 8 1 0 0 0 0 25 9 1 0 0 0 0 26 10 1 0 0 0 0 27 22 1 0 0 0 0 28 11 1 0 0 0 0 29 12 1 0 0 0 0 30 13 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 16 1 0 0 0 0 34 18 1 0 0 0 0 35 19 1 0 0 0 0 36 20 1 0 0 0 0 37 21 1 0 0 0 0 38 22 1 0 0 0 0 39 24 2 0 0 0 0 40 25 2 0 0 0 0 41 26 2 0 0 0 0 42 7 1 0 0 0 0 42 24 1 0 0 0 0 43 17 1 0 0 0 0 43 27 1 0 0 0 0 44 23 1 0 0 0 0 44 25 1 0 0 0 0 45 26 1 0 0 0 0 45 27 1 0 0 0 0 47 46 2 0 0 0 0 48 46 1 0 0 0 0 52 49 2 0 0 0 0 52 50 1 0 0 0 0 53 47 1 0 0 0 0 54 49 1 0 0 0 0 55 48 2 0 0 0 0 56 50 2 0 0 0 0 57 51 1 0 0 0 0 58 53 2 0 0 0 0 58 55 1 0 0 0 0 59 54 2 0 0 0 0 59 56 1 0 0 0 0 60 53 1 0 0 0 0 60 54 1 0 0 0 0 61 57 1 0 0 0 0 62 58 1 0 0 0 0 62 59 1 0 0 0 0 63 61 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 51 1 0 0 0 0 67 52 1 0 0 0 0 68 55 1 0 0 0 0 69 60 2 0 0 0 0 70 61 1 0 0 0 0 71 62 2 0 0 0 0 72 63 1 0 0 0 0 73 64 1 0 0 0 0 74 56 1 0 0 0 0 74 65 1 0 0 0 0 75 57 1 0 0 0 0 75 65 1 0 0 0 0 77 76 2 0 0 0 0 79 78 2 0 0 0 0 80 76 1 0 0 0 0 81 77 1 0 0 0 0 82 78 1 0 0 0 0 83 79 1 0 0 0 0 84 80 2 0 0 0 0 85 81 2 0 0 0 0 85 84 1 0 0 0 0 86 82 2 0 0 0 0 87 83 2 0 0 0 0 87 86 1 0 0 0 0 88 84 1 0 0 0 0 88 86 1 0 0 0 0 89 85 1 0 0 0 0 89 87 1 0 0 0 0 90 88 2 0 0 0 0 91 89 2 0 0 0 0 M END > CHEM007406 > chemdb > O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12.OCC1OC(OC2=CC(O)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O.OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)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/C27H24O18.C20H18O10.C14H8O2/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10;21-6-12-16(25)18(27)19(28)20(30-12)29-11-5-7(22)4-9-14(11)17(26)13-8(15(9)24)2-1-3-10(13)23;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,17,21-23,27-38H,7H2;1-5,12,16,18-23,25,27-28H,6H2;1-8H > PHGJPSLONJXPGH-UHFFFAOYSA-N > C61H50O30 > 1263.041 > 1262.23869021 > 15 > 141 > 59.46200041177995 > 0 > 11 > 0 > 0 > 3,8-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione; 9,10-dihydroanthracene-9,10-dione; [3,5-dihydroxy-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate > 1.94 > 1.821272432999999 > -2.74 > 1 > 11 > 0 > 8.105931898288329 > 7.628542426447977 > -5.548902248577655 > 310.66 > 143.2175 > 13 > 0 > 1.16e+00 g/l > 3,8-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione; anthraquinone; tannic acid > 0 > RHUBARB ROOT (RHEUM SPP.) > 977039-94-3 $$$$