11309056 -OEChem-04232402262D 113123 0 1 0 0 0 0 0999 V2000 6.6974 1.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 -2.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3075 -0.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -2.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6027 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8843 4.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 4.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3593 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -3.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 -5.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8096 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3884 0.7906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0064 0.7906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6974 1.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1974 -0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 -0.9925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0634 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 -1.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4374 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1096 2.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 -1.5431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1974 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0983 -1.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3314 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 2.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5164 3.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6096 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2426 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0262 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 -0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0933 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0933 -2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 3.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 3.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 4.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4148 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 -3.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0933 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0933 -2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8131 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1670 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5933 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1096 -3.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6096 -4.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -4.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7409 -1.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0949 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8818 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 -0.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 1.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 0.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9789 2.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 -1.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -2.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -0.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4471 -2.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -3.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 -2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -0.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9584 0.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8038 1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 2.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8629 1.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 3.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7040 1.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 -0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 -3.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5644 2.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0869 3.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 3.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 4.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -3.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7296 -3.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2996 -1.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 -0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 -3.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7257 -2.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6791 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 2.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -2.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 2.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2996 -4.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2288 -1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1822 0.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5558 4.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 5.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2517 -3.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 -3.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7996 -5.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2976 -0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 33 1 0 0 0 0 4 95 1 0 0 0 0 5 44 1 0 0 0 0 5102 1 0 0 0 0 6 46 1 0 0 0 0 6103 1 0 0 0 0 7 47 1 0 0 0 0 7104 1 0 0 0 0 8 55 1 0 0 0 0 8108 1 0 0 0 0 9 58 1 0 0 0 0 9109 1 0 0 0 0 10 63 1 0 0 0 0 10110 1 0 0 0 0 11 64 1 0 0 0 0 11111 1 0 0 0 0 12 65 1 0 0 0 0 12112 1 0 0 0 0 13 69 1 0 0 0 0 13113 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 70 1 1 0 0 0 15 17 1 0 0 0 0 15 22 1 6 0 0 0 15 71 1 0 0 0 0 16 25 1 1 0 0 0 16 72 1 0 0 0 0 17 26 1 1 0 0 0 17 73 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 74 1 1 0 0 0 20 24 1 0 0 0 0 21 31 1 1 0 0 0 21 75 1 0 0 0 0 22 35 2 0 0 0 0 22 36 1 0 0 0 0 23 28 2 0 0 0 0 23 37 1 0 0 0 0 24 30 2 0 0 0 0 25 38 2 0 0 0 0 25 39 1 0 0 0 0 26 40 2 0 0 0 0 26 41 1 0 0 0 0 27 33 2 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 32 1 0 0 0 0 29 42 1 6 0 0 0 29 77 1 0 0 0 0 30 33 1 0 0 0 0 30 78 1 0 0 0 0 31 48 2 0 0 0 0 31 49 1 0 0 0 0 32 45 1 1 0 0 0 32 79 1 0 0 0 0 34 43 2 0 0 0 0 35 47 1 0 0 0 0 35 80 1 0 0 0 0 36 46 2 0 0 0 0 36 81 1 0 0 0 0 37 44 2 0 0 0 0 37 82 1 0 0 0 0 38 50 1 0 0 0 0 38 83 1 0 0 0 0 39 51 2 0 0 0 0 39 84 1 0 0 0 0 40 52 1 0 0 0 0 40 85 1 0 0 0 0 41 53 2 0 0 0 0 41 86 1 0 0 0 0 42 56 2 0 0 0 0 42 57 1 0 0 0 0 43 44 1 0 0 0 0 43 87 1 0 0 0 0 45 61 2 0 0 0 0 45 62 1 0 0 0 0 46 54 1 0 0 0 0 47 54 2 0 0 0 0 48 59 1 0 0 0 0 48 88 1 0 0 0 0 49 60 2 0 0 0 0 49 89 1 0 0 0 0 50 55 2 0 0 0 0 50 90 1 0 0 0 0 51 55 1 0 0 0 0 51 91 1 0 0 0 0 52 58 2 0 0 0 0 52 92 1 0 0 0 0 53 58 1 0 0 0 0 53 93 1 0 0 0 0 54 94 1 0 0 0 0 56 65 1 0 0 0 0 56 96 1 0 0 0 0 57 64 2 0 0 0 0 57 97 1 0 0 0 0 59 63 2 0 0 0 0 59 98 1 0 0 0 0 60 63 1 0 0 0 0 60 99 1 0 0 0 0 61 67 1 0 0 0 0 61100 1 0 0 0 0 62 68 2 0 0 0 0 62101 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 66105 1 0 0 0 0 67 69 2 0 0 0 0 67106 1 0 0 0 0 68 69 1 0 0 0 0 68107 1 0 0 0 0 M END > 11309056 > 1 > 1640 > 13 > 10 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASJEgAAwYMGDAAAAAEgBVAAAGgAACAAADRSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwOoAABCAAYAABAAAIQADAAAAAAAAAAAA== > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]benzene-1,3-diol > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)-3-oxolanyl]benzene-1,3-diol > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-[3,5-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol > 5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)coumaran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)coumaran-4-yl]-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]resorcinol > InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56+/m1/s1 > RAUCCLKIJHMTND-HFRYPGABSA-N > 8.8 > 924.27819145 > C56H44O13 > 924.9 > C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O > C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O > 230 > 924.27819145 > 0 > 69 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 70 5 15 22 6 16 25 5 17 26 5 18 20 8 18 27 8 19 74 5 20 24 8 21 31 5 22 35 8 22 36 8 23 28 8 23 37 8 24 30 8 25 38 8 25 39 8 26 40 8 26 41 8 27 33 8 28 34 8 29 42 6 30 33 8 31 48 8 31 49 8 32 45 5 34 43 8 35 47 8 36 46 8 37 44 8 38 50 8 39 51 8 40 52 8 41 53 8 42 56 8 42 57 8 43 44 8 45 61 8 45 62 8 46 54 8 47 54 8 48 59 8 49 60 8 50 55 8 51 55 8 52 58 8 53 58 8 56 65 8 57 64 8 59 63 8 60 63 8 61 67 8 62 68 8 64 66 8 65 66 8 67 69 8 68 69 8 $$$$