Mrv1652309082213302D 57 64 0 0 1 0 999 V2000 -3.4245 -3.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -3.2271 0.0000 O 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 2 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 1.6468 -6.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 -7.0949 0.0000 O 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 3.3090 -3.7065 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 6.1160 -2.1581 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 6.9898 -4.5078 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 4.7467 -6.6566 0.0000 C 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 5.9028 -7.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 -8.2946 0.0000 O 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 7.2470 -6.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 -7.6981 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 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 3.0185 -7.8493 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 1.1276 -5.9735 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 1 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 -2.5995 -4.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 -4.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 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 9 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 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 2 0 0 0 0 25 33 1 0 0 0 0 24 34 1 0 0 0 0 15 34 1 0 0 0 0 34 35 1 6 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 35 42 1 0 0 0 0 13 43 1 0 0 0 0 43 44 2 0 0 0 0 8 44 1 0 0 0 0 44 45 1 0 0 0 0 6 45 1 0 0 0 0 45 46 1 6 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 46 53 1 0 0 0 0 5 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 3 56 1 0 0 0 0 56 57 1 0 0 0 0 M END > NP0266905 > NP-MRD > COC1=CC(=CC=C1O)[C@@H]1OC2=C(CO)C=C(\C=C3/[C@H]([C@@H](C4=C(O)C=C(O)C=C34)C3=CC=C(O)C(OC)=C3)C3=CC(O)=CC(O)=C3)C=C2[C@H]1C1=CC(O)=CC(O)=C1 > InChI=1S/C45H38O12/c1-55-38-14-22(3-5-35(38)52)42-40(24-10-27(47)16-28(48)11-24)32(33-18-31(51)19-37(54)43(33)42)8-21-7-26(20-46)44-34(9-21)41(25-12-29(49)17-30(50)13-25)45(57-44)23-4-6-36(53)39(15-23)56-2/h3-19,40-42,45-54H,20H2,1-2H3/b32-8-/t40-,41-,42+,45+/m1/s1 > IWIOYZKMJADYEA-FYCYYSSGSA-N > C45H38O12 > 770.787 > 770.236326664 > 12 > 95 > 80.19762371488267 > 0 > 9 > 0 > 0 > (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-{[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol > 7.157842435999999 > 1 > 8 > 0 > 8.80947017646392 > 8.334072493683847 > -5.083819197050851 > 209.75999999999996 > 212.53269999999995 > 8 > 0 > (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-{[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol > 0 > NP0266905 > (1e,2r,3r)-2-(3,5-dihydroxyphenyl)-1-{[(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydroindene-4,6-diol $$$$