16131430 -OEChem-05102418012D 110120 0 1 0 0 0 0 0999 V2000 6.8182 -3.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 1.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -4.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3744 -2.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0868 3.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3649 -2.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7575 4.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9306 -1.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3943 -1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2296 1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -2.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0140 -1.3911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3906 -0.6093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8906 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3426 -3.1140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7915 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7671 -1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7967 -3.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9890 -1.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8244 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6611 -2.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 -3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6528 -4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5913 -3.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3468 -0.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2837 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6692 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2611 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8216 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 -3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2587 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6441 -1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 -3.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6124 1.7956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6922 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4073 2.3926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3593 -2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7980 2.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5534 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8231 2.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 3.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5283 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6291 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3628 2.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1429 2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4126 4.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4377 3.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5033 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7715 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5854 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0959 2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7882 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5200 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5409 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0515 2.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6625 -1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2740 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -1.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2948 -0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 -0.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -3.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2166 -2.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3539 -1.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 -5.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 0.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6429 1.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1709 -0.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -4.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 -1.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0658 -2.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 1.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 2.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8738 1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5433 -0.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 -4.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -1.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3757 -5.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1693 1.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5137 1.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 0.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1317 1.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -3.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9501 0.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5385 2.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5954 4.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 3.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 0.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2295 0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1309 0.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9579 3.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6789 0.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5060 2.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6728 -1.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9403 5.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9410 -1.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4046 -1.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6841 1.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 27 1 0 0 0 0 2 83 1 0 0 0 0 3 29 1 0 0 0 0 3 89 1 0 0 0 0 4 30 1 0 0 0 0 4 92 1 0 0 0 0 5 33 1 0 0 0 0 5 94 1 0 0 0 0 6 47 1 0 0 0 0 6 52 1 0 0 0 0 7 46 1 0 0 0 0 7 98 1 0 0 0 0 8 48 1 0 0 0 0 8101 1 0 0 0 0 9 58 1 0 0 0 0 9107 1 0 0 0 0 10 63 1 0 0 0 0 10108 1 0 0 0 0 11 64 1 0 0 0 0 11109 1 0 0 0 0 12 68 1 0 0 0 0 12110 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 69 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 70 1 6 0 0 0 15 20 1 0 0 0 0 15 23 1 6 0 0 0 15 71 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 25 1 6 0 0 0 17 72 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 2 0 0 0 0 22 31 1 0 0 0 0 22 33 2 0 0 0 0 23 34 2 0 0 0 0 23 35 1 0 0 0 0 24 29 2 0 0 0 0 24 73 1 0 0 0 0 25 36 2 0 0 0 0 25 37 1 0 0 0 0 26 30 2 0 0 0 0 26 74 1 0 0 0 0 27 32 2 0 0 0 0 28 29 1 0 0 0 0 28 75 1 0 0 0 0 30 32 1 0 0 0 0 31 38 2 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 34 78 1 0 0 0 0 35 41 2 0 0 0 0 35 79 1 0 0 0 0 36 43 1 0 0 0 0 36 80 1 0 0 0 0 37 44 2 0 0 0 0 37 81 1 0 0 0 0 38 42 1 0 0 0 0 38 50 1 0 0 0 0 39 42 2 0 0 0 0 39 82 1 0 0 0 0 40 46 2 0 0 0 0 40 84 1 0 0 0 0 41 46 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 43 48 2 0 0 0 0 43 87 1 0 0 0 0 44 48 1 0 0 0 0 44 88 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 45 54 1 1 0 0 0 45 90 1 0 0 0 0 47 55 1 6 0 0 0 47 91 1 0 0 0 0 49 51 2 0 0 0 0 49 52 1 0 0 0 0 50 53 2 0 0 0 0 50 93 1 0 0 0 0 51 53 1 0 0 0 0 51 56 1 0 0 0 0 52 57 2 0 0 0 0 53 95 1 0 0 0 0 54 59 2 0 0 0 0 54 60 1 0 0 0 0 55 61 2 0 0 0 0 55 62 1 0 0 0 0 56 58 2 0 0 0 0 56 96 1 0 0 0 0 57 58 1 0 0 0 0 57 97 1 0 0 0 0 59 64 1 0 0 0 0 59 99 1 0 0 0 0 60 63 2 0 0 0 0 60100 1 0 0 0 0 61 65 1 0 0 0 0 61102 1 0 0 0 0 62 66 2 0 0 0 0 62103 1 0 0 0 0 63 67 1 0 0 0 0 64 67 2 0 0 0 0 65 68 2 0 0 0 0 65104 1 0 0 0 0 66 68 1 0 0 0 0 66105 1 0 0 0 0 67106 1 0 0 0 0 M END > 16131430 > 1 > 1680 > 12 > 10 > 7 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASJAAAAwYMGDBgAAAEiRVAAAGgAACAAADRSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwOoAADCAAYAABAAAYQADAAAAAAAAAAAA== > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]vinyl]-2-hydroxy-phenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-[3,5-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-oxidanyl-phenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)coumaran-4-yl]vinyl]-2-hydroxy-phenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1 > XAXVWWYPKOGXSY-DBHYGPPCSA-N > 9.8 > 906.26762677 > C56H42O12 > 906.9 > C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O > C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)/C=C/C8=C9[C@@H]([C@H](OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O > 221 > 906.26762677 > 0 > 68 > 6 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 69 6 14 70 6 15 23 6 16 18 8 16 21 8 17 25 6 18 24 8 19 20 8 19 26 8 20 27 8 21 28 8 22 31 8 22 33 8 23 34 8 23 35 8 24 29 8 25 36 8 25 37 8 26 30 8 27 32 8 28 29 8 30 32 8 31 38 8 33 39 8 34 40 8 35 41 8 36 43 8 37 44 8 38 42 8 39 42 8 40 46 8 41 46 8 43 48 8 44 48 8 45 54 5 47 55 6 49 51 8 49 52 8 51 56 8 52 57 8 54 59 8 54 60 8 55 61 8 55 62 8 56 58 8 57 58 8 59 64 8 60 63 8 61 65 8 62 66 8 63 67 8 64 67 8 65 68 8 66 68 8 $$$$