44567218 -OEChem-04252401232D 68 75 0 1 0 0 0 0 0999 V2000 6.9527 -2.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -1.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -1.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -3.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7850 -5.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 2.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5068 -0.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 5.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -2.7294 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1606 -3.7709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3107 -2.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0427 -2.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2835 -4.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 -4.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 -2.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4378 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 -4.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9086 -4.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -2.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 -0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 0.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -5.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -0.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 -0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 1.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 4.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 4.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 5.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 5.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 -3.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -4.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -4.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 -2.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 -5.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 -3.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 -4.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -4.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 0.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 -3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3718 -0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -6.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -2.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 0.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3117 -3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -6.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 2.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0438 -0.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 4.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 5.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 6.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 60 1 0 0 0 0 4 26 1 0 0 0 0 4 61 1 0 0 0 0 5 31 1 0 0 0 0 5 62 1 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 7 34 1 0 0 0 0 7 64 1 0 0 0 0 8 42 1 0 0 0 0 8 68 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 45 1 1 0 0 0 12 18 1 1 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 21 28 1 0 0 0 0 22 30 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 29 1 0 0 0 0 24 53 1 0 0 0 0 25 31 2 0 0 0 0 25 54 1 0 0 0 0 26 32 1 0 0 0 0 27 33 2 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 39 65 1 0 0 0 0 40 42 2 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 41 67 1 0 0 0 0 M END > 44567218 > 1 > 1050 > 8 > 5 > 2 > AAADceB8PAAAAAAAAAAAAAAAAAAAASAAAAA0aMGCAAAAAEiR9AAAGgAACAAADQSAmAAyDsAABkCIAqBSAAACCAAkIAAIiAEGCMgcJzaGNRqieWCl4BUMuYfK7PzO4AABCAAIAADAAAIQABAAAAAAAAAAAA== > (1R,9S,13S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxybenzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > (1R,9S,13S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-2-benzofuranyl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]heneicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > (1R,9S,13S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > (1R,9S,13S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > (1R,9S,13S)-1-[2,4-bis(oxidanyl)phenyl]-11-methyl-17-(6-oxidanyl-1-benzofuran-2-yl)-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > (1R,9S,13S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxybenzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]heneicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol > InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33?,34+/m1/s1 > MJJWBJFYYRAYKU-WLKQUGLZSA-N > 6 > 562.16276778 > C34H26O8 > 562.6 > CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O > CC1=C[C@H]2C3[C@H](C1)C4=C(C=C(C=C4)O)O[C@]3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O > 133 > 562.16276778 > 0 > 42 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 45 5 12 18 5 14 19 8 14 22 8 15 20 8 15 21 8 18 26 8 18 27 8 19 25 8 20 24 8 21 28 8 22 30 8 24 29 8 25 31 8 26 32 8 27 33 8 28 29 8 30 31 8 32 34 8 33 34 8 35 36 8 36 37 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 6 35 8 6 38 8 9 10 3 $$$$