Mrv1652303102017012D 70 80 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 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 5.7889 1.6802 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 6.3523 2.2918 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 5.3398 3.6153 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 7.0731 1.7714 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 8.0292 0.7095 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 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 7.6862 2.3234 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 8.6423 1.2615 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 -2.5518 0.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 1.0066 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 1.5504 -3.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -2.1574 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 4.1160 1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -4.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 -2.7675 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 6.3409 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.8028 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 4 2 1 0 0 0 0 5 3 2 0 0 0 0 8 6 2 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 7 2 0 0 0 0 28 6 1 0 0 0 0 28 7 1 0 0 0 0 28 16 2 0 0 0 0 29 4 2 0 0 0 0 29 5 1 0 0 0 0 30 9 2 0 0 0 0 30 10 1 0 0 0 0 31 8 1 0 0 0 0 31 17 2 0 0 0 0 32 11 1 0 0 0 0 32 22 2 0 0 0 0 33 18 2 0 0 0 0 33 19 1 0 0 0 0 34 20 2 0 0 0 0 34 21 1 0 0 0 0 35 12 2 0 0 0 0 35 13 1 0 0 0 0 36 18 1 0 0 0 0 36 23 2 0 0 0 0 37 19 2 0 0 0 0 37 23 1 0 0 0 0 38 20 1 0 0 0 0 38 24 2 0 0 0 0 39 21 2 0 0 0 0 39 24 1 0 0 0 0 40 17 1 0 0 0 0 40 26 2 0 0 0 0 41 25 2 0 0 0 0 41 27 1 0 0 0 0 42 16 1 0 0 0 0 43 25 1 0 0 0 0 44 14 1 0 0 0 0 45 22 1 0 0 0 0 45 44 2 0 0 0 0 46 15 1 0 0 0 0 46 42 2 0 0 0 0 47 26 1 0 0 0 0 48 27 2 0 0 0 0 49 31 1 0 0 0 0 49 47 2 0 0 0 0 50 33 1 0 0 0 0 50 49 1 0 0 0 0 51 34 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 29 1 0 0 0 0 54 50 1 0 0 0 0 55 30 1 0 0 0 0 55 51 1 0 0 0 0 56 32 1 0 0 0 0 56 52 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 1 0 0 0 0 60 38 1 0 0 0 0 61 39 1 0 0 0 0 62 40 1 0 0 0 0 63 41 1 0 0 0 0 64 44 1 0 0 0 0 65 45 1 0 0 0 0 66 46 1 0 0 0 0 66 56 1 0 0 0 0 67 47 1 0 0 0 0 67 54 1 0 0 0 0 68 48 1 0 0 0 0 68 55 1 0 0 0 0 69 6 1 0 0 0 0 70 8 1 0 0 0 0 M END > BMDB0096265 > bmdb > [H]\C(=C(/[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC=CC=C1)C1=CC(O)=CC(O)=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/C56H42O12/c57-35-12-9-30(10-13-35)55-51(34-20-38(60)24-39(61)21-34)53-43(25-41(63)27-48(53)68-55)52-42-16-28(7-15-46(42)66-56(52)32-11-14-44(64)45(65)22-32)6-8-31-17-40(62)26-47-49(31)50(33-18-36(58)23-37(59)19-33)54(67-47)29-4-2-1-3-5-29/h1-27,50-52,54-65H/b8-6- > SIXFOKVXFVXGEE-VURMDHGXSA-N > C56H42O12 > 906.94 > 906.267626792 > 12 > 110 > 93.45079891607153 > 0 > 9 > 0 > 0 > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-[(Z)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol > 6.93 > 11.076701637333333 > -6.04 > 1 > 11 > 0 > 8.9901946071565 > 8.58785254259405 > -5.6715358162963385 > 209.75999999999996 > 255.20750000000018 > 8 > 0 > 8.33e-04 g/l > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-[(Z)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol > 0 > BMDB0096265 > 4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-[(Z)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol $$$$