637098 -OEChem-05052415182D 56 60 0 1 0 0 0 0 0999 V2000 10.4114 -2.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9897 1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9950 -1.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 -1.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9950 -1.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7005 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 -2.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0112 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3648 1.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 -2.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3433 1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 -1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0239 -0.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2767 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4475 0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1146 -0.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1850 -0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1850 -3.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 -0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 -3.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 2.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 1.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 2.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3050 -2.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 21 1 0 0 0 0 2 49 1 0 0 0 0 3 22 1 0 0 0 0 3 50 1 0 0 0 0 4 27 1 0 0 0 0 4 51 1 0 0 0 0 5 32 1 0 0 0 0 5 55 1 0 0 0 0 6 33 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 1 0 0 0 7 35 1 0 0 0 0 8 12 1 6 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 20 2 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 21 2 0 0 0 0 17 40 1 0 0 0 0 18 23 1 0 0 0 0 18 41 1 0 0 0 0 19 24 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 26 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 54 1 0 0 0 0 M END > 637098 > 1 > 670 > 6 > 5 > 4 > AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYMGAAAAAAEgBVAAAGgAACAAADRSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwOoAADCAAIAABAAAYQABAAAAAAAAAAAA== > 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]vinyl]benzene-1,3-diol > 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-yl]ethenyl]benzene-1,3-diol > 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol > 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol > 5-[(E)-2-[(2R,3R)-3-[3,5-bis(oxidanyl)phenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol > 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)coumaran-5-yl]vinyl]resorcinol > InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m1/s1 > LILPTCHQLRKZNG-CKKRXTSSSA-N > 5.4 > 454.14163842 > C28H22O6 > 454.5 > C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O > C1=CC(=CC=C1[C@H]2[C@@H](C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O > 110 > 454.14163842 > 0 > 34 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 11 16 8 11 17 8 12 18 8 12 19 8 13 15 8 14 20 8 15 20 8 16 22 8 17 21 8 18 23 8 19 24 8 21 26 8 22 26 8 23 27 8 24 27 8 29 30 8 29 31 8 30 33 8 31 32 8 32 34 8 33 34 8 7 11 5 8 12 6 9 10 8 9 13 8 $$$$