Mrv1652309072217442D 51 58 0 0 1 0 999 V2000 11.0213 1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2143 1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6623 0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8553 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6004 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2413 1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8204 2.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1794 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 3.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5399 3.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 3.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 4.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 5.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 5.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 4.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -1.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -1.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1524 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 2.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 8 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 16 24 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 34 40 1 0 0 0 0 33 41 1 0 0 0 0 29 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 42 49 1 0 0 0 0 5 50 1 0 0 0 0 50 51 2 0 0 0 0 2 51 1 0 0 0 0 M END > NP0252279 > NP-MRD > OC1=CC=C(CCC2=CC(O)=C3[C@@H]([C@H](OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=C3[C@H]([C@@H](OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1 > InChI=1S/C42H34O9/c43-28-9-3-22(4-10-28)1-2-23-15-33(48)39-35(16-23)50-42(25-7-13-30(45)14-8-25)38(39)27-19-34(49)40-36(20-27)51-41(24-5-11-29(44)12-6-24)37(40)26-17-31(46)21-32(47)18-26/h3-21,37-38,41-49H,1-2H2/t37-,38+,41+,42-/m1/s1 > LAYBJJPDBDGKJU-DJWUCCCFSA-N > C42H34O9 > 682.725 > 682.220282675 > 9 > 85 > 73.85417713233416 > 0 > 7 > 0 > 0 > 5-[(2R,3R)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol > 8.715119710333333 > 1 > 8 > 0 > 9.152157413968622 > 8.74147937588895 > -4.901953066638077 > 160.07 > 191.50689999999997 > 7 > 0 > 5-[(2R,3R)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol > 0 > NP0252279 > 5-[(2r,3r)-4-hydroxy-6-[(2s,3s)-4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol $$$$