Mrv1652309022219282D 51 58 0 0 1 0 999 V2000 -3.4245 -4.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -4.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -3.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -3.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9495 -4.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -4.6560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3604 -5.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -5.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -5.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -5.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -4.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 -3.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -4.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 -3.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 -3.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8185 -2.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3705 -3.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -4.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -4.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -4.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8961 -5.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2317 -5.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0521 -6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 -6.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 -7.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 -8.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 -7.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7467 -6.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -5.0640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4760 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 -6.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -7.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -6.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -5.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 -5.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -3.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -4.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -3.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1054 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 -2.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4044 -1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6575 -2.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -5.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -5.3705 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 6 5 1 6 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 31 38 1 0 0 0 0 11 39 1 0 0 0 0 39 40 2 0 0 0 0 8 40 1 0 0 0 0 40 41 1 0 0 0 0 6 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 > NP0159672 > NP-MRD > OC1=CC=C(C=C1)[C@H]1OC2=CC=C(\C=C3/[C@H]([C@@H](C4=C(O)C=C(O)C=C34)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2[C@@H]1C1=CC(O)=CC(O)=C1 > InChI=1S/C42H32O9/c43-26-6-2-22(3-7-26)40-38(24-13-28(45)17-29(46)14-24)33(34-19-32(49)20-36(50)41(34)40)11-21-1-10-37-35(12-21)39(25-15-30(47)18-31(48)16-25)42(51-37)23-4-8-27(44)9-5-23/h1-20,38-40,42-50H/b33-11-/t38-,39+,40+,42-/m1/s1 > UIJJQCYTVSGVJK-ZWPIKBBWSA-N > C42H32O9 > 680.709 > 680.20463261 > 9 > 83 > 70.72093246212067 > 0 > 8 > 0 > 0 > (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-{[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol > 5.57 > 8.240534734666667 > -5.87 > 0 > 8 > 0 > 8.776702187614834 > 8.316235334714198 > -5.465631143686626 > 171.07 > 192.79039999999995 > 5 > 0 > 9.22e-04 g/l > (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-{[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol > 0 > NP0159672 > (1e,2r,3r)-2-(3,5-dihydroxyphenyl)-1-{[(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol $$$$