108065 -OEChem-04262423152D 71 76 0 1 0 0 0 0 0999 V2000 6.7942 -2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5801 0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8505 0.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 2.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 3.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9024 -0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -3.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9502 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2066 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9425 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -2.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4782 -0.2793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4933 -0.4529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8201 0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 -1.3926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1209 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 2.1813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4862 1.1396 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5801 2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7789 -1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 -1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 2.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 -0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8195 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4632 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -2.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3464 -0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2105 -0.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 -0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8105 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9318 0.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 -0.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 1.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 1.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1755 3.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 2.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -3.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4296 -1.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 -0.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -2.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3479 3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -0.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2206 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 1.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 3.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4874 -0.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -0.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -3.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -3.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9526 1.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 -2.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1184 -0.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3486 -0.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5025 0.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 14 3 1 6 0 0 0 3 52 1 0 0 0 0 20 4 1 1 0 0 0 4 57 1 0 0 0 0 5 24 1 0 0 0 0 5 60 1 0 0 0 0 6 26 1 0 0 0 0 6 61 1 0 0 0 0 7 27 1 0 0 0 0 7 62 1 0 0 0 0 8 32 1 0 0 0 0 8 65 1 0 0 0 0 9 39 1 0 0 0 0 9 66 1 0 0 0 0 10 40 1 0 0 0 0 10 67 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 41 1 0 0 0 0 12 68 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 6 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 6 0 0 0 16 46 1 0 0 0 0 17 23 1 0 0 0 0 17 27 2 0 0 0 0 18 19 2 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 29 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 30 2 0 0 0 0 24 28 1 0 0 0 0 25 33 2 0 0 0 0 25 34 1 0 0 0 0 26 28 2 0 0 0 0 27 31 1 0 0 0 0 28 51 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 33 37 1 0 0 0 0 33 55 1 0 0 0 0 34 38 2 0 0 0 0 34 56 1 0 0 0 0 35 40 1 0 0 0 0 35 58 1 0 0 0 0 36 39 2 0 0 0 0 36 59 1 0 0 0 0 37 41 2 0 0 0 0 37 63 1 0 0 0 0 38 41 1 0 0 0 0 38 64 1 0 0 0 0 39 42 1 0 0 0 0 40 42 2 0 0 0 0 43 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 M END > 108065 > 1 > 920 > 12 > 9 > 4 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAACRVAAAGgAACAAADRSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNNyKGMRqCeCOlwBULuAfA4PwOoAADCAAIQABAAAYQABCAAAAAAAAAAA== > (3R)-2-(3,5-dihydroxy-4-methoxy-phenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chromane-3,5,7-triol > (3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol > (3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol > (3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol > (3R)-8-[(2R,3R,4R)-2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol > (3R)-2-(3,5-dihydroxy-4-methoxy-phenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chroman-3,5,7-triol > InChI=1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3/t22-,26-,27-,28?,29-/m1/s1 > JPFCOVZKLAXXOE-XBNSMERZSA-N > 2.7 > 592.15807632 > C31H28O12 > 592.5 > COC1=C(C=C(C=C1O)C2C(CC3=C(O2)C(=C(C=C3O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O > COC1=C(C=C(C=C1O)C2[C@@H](CC3=C(O2)C(=C(C=C3O)O)[C@@H]4[C@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O > 210 > 592.15807632 > 0 > 43 > 4 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 44 6 15 18 8 15 24 8 16 25 6 17 23 8 17 27 8 18 19 8 19 26 8 21 29 3 23 30 8 24 28 8 25 33 8 25 34 8 26 28 8 27 31 8 29 35 8 29 36 8 14 3 6 30 32 8 31 32 8 33 37 8 34 38 8 35 40 8 36 39 8 37 41 8 38 41 8 39 42 8 20 4 5 40 42 8 $$$$