Mrv1652303102017012D 69 79 0 0 0 0 999 V2000 10.5281 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 4.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3721 4.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2227 2.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7486 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4324 1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4324 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -2.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 -3.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 1.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 3.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2282 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 4.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 3.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6862 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 -0.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2446 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -2.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 -1.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 4.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 -2.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9087 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8472 4.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 3.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5146 3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 3.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 -3.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 1.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -4.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -2.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -1.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 4.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 1.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2842 1.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9965 2.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 11 9 2 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 14 2 0 0 0 0 18 10 2 0 0 0 0 29 9 1 0 0 0 0 29 10 1 0 0 0 0 29 19 2 0 0 0 0 30 5 2 0 0 0 0 30 6 1 0 0 0 0 31 12 2 0 0 0 0 31 13 1 0 0 0 0 32 7 1 0 0 0 0 32 20 2 0 0 0 0 33 11 1 0 0 0 0 33 21 2 0 0 0 0 34 14 1 0 0 0 0 34 24 2 0 0 0 0 35 22 2 0 0 0 0 35 23 1 0 0 0 0 36 15 2 0 0 0 0 36 16 1 0 0 0 0 37 8 2 0 0 0 0 37 20 1 0 0 0 0 38 22 1 0 0 0 0 38 25 2 0 0 0 0 39 23 2 0 0 0 0 39 25 1 0 0 0 0 40 21 1 0 0 0 0 40 27 2 0 0 0 0 41 26 2 0 0 0 0 41 28 1 0 0 0 0 42 19 1 0 0 0 0 43 26 1 0 0 0 0 44 17 1 0 0 0 0 45 24 1 0 0 0 0 45 44 2 0 0 0 0 46 18 1 0 0 0 0 46 42 2 0 0 0 0 47 27 1 0 0 0 0 48 28 2 0 0 0 0 49 33 1 0 0 0 0 49 47 2 0 0 0 0 50 32 1 0 0 0 0 50 49 1 0 0 0 0 51 35 1 0 0 0 0 52 42 1 0 0 0 0 52 43 1 0 0 0 0 53 43 2 0 0 0 0 53 48 1 0 0 0 0 53 51 1 0 0 0 0 54 30 1 0 0 0 0 54 50 1 0 0 0 0 55 31 1 0 0 0 0 55 51 1 0 0 0 0 56 34 1 0 0 0 0 56 52 1 0 0 0 0 57 36 1 0 0 0 0 58 37 1 0 0 0 0 59 38 1 0 0 0 0 60 39 1 0 0 0 0 61 40 1 0 0 0 0 62 41 1 0 0 0 0 63 44 1 0 0 0 0 64 45 1 0 0 0 0 65 46 1 0 0 0 0 65 56 1 0 0 0 0 66 47 1 0 0 0 0 66 54 1 0 0 0 0 67 48 1 0 0 0 0 67 55 1 0 0 0 0 68 9 1 0 0 0 0 69 11 1 0 0 0 0 M END > BMDB0096266 > bmdb > [H]C(=C([H])C1=CC(O)=CC2=C1C(C(O2)C1=CC=CC=C1)C1=CC(O)=CC=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C2=CC(O)=C(O)C=C2)C=C1 > InChI=1S/C56H42O11/c57-36-15-12-31(13-16-36)55-51(35-22-38(59)25-39(60)23-35)53-43(26-41(62)28-48(53)67-55)52-42-19-29(10-18-46(42)65-56(52)34-14-17-44(63)45(64)24-34)9-11-33-21-40(61)27-47-49(33)50(32-7-4-8-37(58)20-32)54(66-47)30-5-2-1-3-6-30/h1-28,50-52,54-64H/b11-9- > IDHBEKAJEYQYPX-LUAWRHEFSA-N > C56H42O11 > 890.941 > 890.272712172 > 11 > 109 > 92.36482779334894 > 0 > 8 > 0 > 0 > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-{2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl}-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol > 7.26 > 11.380266958999997 > -6.13 > 1 > 11 > 0 > 9.017512255338062 > 8.621347563045731 > -5.484916407762623 > 189.52999999999997 > 253.2266000000002 > 8 > 0 > 6.63e-04 g/l > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-{2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl}-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol > 0 > BMDB0096266 > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-{2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl}-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol $$$$