CDK 9/16/09,9:20 134149 0 0 0 0 0 0 0 0999 V2000 1.7749 -6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -6.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 -5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -5.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -5.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -4.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -5.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 -7.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -8.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -8.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 -9.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -9.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 -10.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1466 -10.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 -10.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8822 -9.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -9.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 -10.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -8.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -7.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -7.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -8.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 -7.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7663 -7.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -6.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 -6.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0588 -5.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 -6.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 -8.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5624 -11.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2701 -11.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 -11.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -12.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 -13.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 -12.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 -11.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 -11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 -11.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 -13.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9465 -14.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -11.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0105 -10.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -11.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -12.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -11.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -13.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -13.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -14.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -13.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -13.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 -14.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -15.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 -14.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9688 -12.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9865 -11.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 -11.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -12.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -13.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -10.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -10.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -11.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 -11.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 -13.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -13.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 -0.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 -2.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -2.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0551 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 -3.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 -0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1481 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5612 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -0.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2703 0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2889 -0.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -2.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 -3.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 -1.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 -2.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3265 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -3.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 -4.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -3.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 -2.7234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0574 -4.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -5.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -5.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 -4.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -5.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 -6.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -6.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -6.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 -5.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0523 -6.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 -7.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -6.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1936 2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 2.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 2.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3367 1.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 2.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 2.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 1.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 -0.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 0.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62 58 1 0 0 0 0 25 31 1 0 0 0 0 59 65 1 0 0 0 0 5 8 1 0 0 0 0 60 66 1 0 0 0 0 20 32 1 0 0 0 0 61 67 1 0 0 0 0 32 33 1 0 0 0 0 13 18 1 0 0 0 0 68 70 1 0 0 0 0 32 34 2 0 0 0 0 71 70 1 1 0 0 0 71 76 1 0 0 0 0 14 15 1 0 0 0 0 33 35 2 0 0 0 0 15 16 1 0 0 0 0 35 36 1 0 0 0 0 71 75 1 0 0 0 0 76 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 16 17 1 0 0 0 0 76 69 1 6 0 0 0 36 37 2 0 0 0 0 74 77 1 6 0 0 0 17 18 1 0 0 0 0 73 78 1 6 0 0 0 37 38 1 0 0 0 0 72 79 1 1 0 0 0 4 9 1 0 0 0 0 79 80 1 0 0 0 0 38 39 2 0 0 0 0 80 81 1 0 0 0 0 39 33 1 0 0 0 0 81 82 2 0 0 0 0 18 19 1 6 0 0 0 82 83 1 0 0 0 0 38 40 1 0 0 0 0 83 84 2 0 0 0 0 4 5 1 0 0 0 0 84 85 1 0 0 0 0 37 41 1 0 0 0 0 85 86 2 0 0 0 0 86 81 1 0 0 0 0 17 20 1 1 0 0 0 83 87 1 0 0 0 0 36 42 1 0 0 0 0 84 88 1 0 0 0 0 2 10 1 0 0 0 0 85 89 1 0 0 0 0 16 43 1 6 0 0 0 78 90 1 0 0 0 0 19 21 1 0 0 0 0 90 91 1 0 0 0 0 15 44 1 1 0 0 0 90 92 2 0 0 0 0 2 3 1 0 0 0 0 91 93 2 0 0 0 0 44 45 1 0 0 0 0 93 94 1 0 0 0 0 21 22 1 0 0 0 0 94 95 2 0 0 0 0 43 46 1 0 0 0 0 95 96 1 0 0 0 0 10 11 2 0 0 0 0 96 97 2 0 0 0 0 97 91 1 0 0 0 0 46 47 1 0 0 0 0 94 98 1 0 0 0 0 21 23 2 0 0 0 0 95 99 1 0 0 0 0 46 48 2 0 0 0 0 96100 1 0 0 0 0 5 6 2 0 0 0 0 77101 1 0 0 0 0 47 49 2 0 0 0 0 101102 1 0 0 0 0 22 24 2 0 0 0 0 101103 2 0 0 0 0 49 50 1 0 0 0 0 102104 2 0 0 0 0 10 12 1 0 0 0 0 104105 1 0 0 0 0 50 51 2 0 0 0 0 105106 2 0 0 0 0 24 25 1 0 0 0 0 106107 1 0 0 0 0 51 52 1 0 0 0 0 107108 2 0 0 0 0 108102 1 0 0 0 0 6 1 1 0 0 0 0 107109 1 0 0 0 0 52 53 2 0 0 0 0 106110 1 0 0 0 0 53 47 1 0 0 0 0 105111 1 0 0 0 0 25 26 2 0 0 0 0 52 54 1 0 0 0 0 112113 2 0 0 0 0 13 12 1 6 0 0 0 113114 1 0 0 0 0 114117 2 0 0 0 0 51 55 1 0 0 0 0 116115 2 0 0 0 0 115112 1 0 0 0 0 116117 1 0 0 0 0 26 27 1 0 0 0 0 50 56 1 0 0 0 0 116118 1 0 0 0 0 13 14 1 0 0 0 0 49 57 1 0 0 0 0 118119 2 0 0 0 0 27 28 2 0 0 0 0 119120 1 0 0 0 0 57 58 2 0 0 0 0 120121 2 0 0 0 0 58 64 1 0 0 0 0 121122 1 0 0 0 0 28 22 1 0 0 0 0 122123 2 0 0 0 0 123118 1 0 0 0 0 64 59 2 0 0 0 0 115124 1 0 0 0 0 1 2 2 0 0 0 0 112125 1 0 0 0 0 59 60 1 0 0 0 0 113126 1 0 0 0 0 27 29 1 0 0 0 0 123127 1 0 0 0 0 60 61 2 0 0 0 0 122128 1 0 0 0 0 61 57 1 0 0 0 0 121129 1 0 0 0 0 6 7 1 0 0 0 0 117130 1 0 0 0 0 45 62 1 0 0 0 0 119131 1 0 0 0 0 130 69 1 0 0 0 0 26 30 1 0 0 0 0 130132 2 0 0 0 0 131 68 1 0 0 0 0 62 63 2 0 0 0 0 131133 2 0 0 0 0 3 4 2 0 0 0 0 80134 2 0 0 0 0 108 7 1 0 0 0 0 86 93 1 0 0 0 0 24 39 1 0 0 0 0 M END > CHEBI:581177 > agrimoniin > A dimeric hydrolysable tannin in which 2 moles of potentillin monomer are linked via a dehydrogalloyl group; an antitumor tannin of Agrimonia pilosa Ledeb., which induces interleukin-1. > 3 > CHEBI:2517; CHEBI:583079 > C82H54O52 > 1871.27500 > 1870.15811 > 0 > Oc1cc(cc(Oc2c(O)c(O)c(O)cc2C(=O)O[C@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]3[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]23)c1O)C(=O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 > InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1 > BZAFROBDXRJYTQ-JVEQELPQSA-N > 82203-01-8 > 5725677 > 82203-01-8 > C10210 > C00002907 > 1444208 $$$$