467321 -OEChem-04252405352D 80 86 0 1 0 0 0 0 0999 V2000 9.0631 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6834 0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0264 -0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7817 -3.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 3.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7165 2.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 3.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -3.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -3.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5154 -1.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2936 2.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9908 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0139 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 -0.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7950 -0.7066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9464 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7834 -1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 0.1552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0375 -0.7757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0524 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9117 -2.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 -1.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2706 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0524 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4252 -1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8524 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9157 -3.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9464 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8524 2.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2706 2.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1357 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 2.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 -3.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 -0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1156 -3.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5269 -0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3987 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2589 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4102 0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1306 -0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1422 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6758 0.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3283 -1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9887 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3952 -1.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 0.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4241 -0.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 -2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -1.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 0.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3882 1.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6061 -1.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2529 -1.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0068 -4.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 0.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7817 -4.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4681 4.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2547 2.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0386 4.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7835 -3.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2324 -4.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2517 -1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8769 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8340 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5313 -0.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5472 0.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 32 1 0 0 0 0 18 3 1 6 0 0 0 3 44 1 0 0 0 0 22 4 1 6 0 0 0 4 65 1 0 0 0 0 5 34 1 0 0 0 0 5 69 1 0 0 0 0 6 35 1 0 0 0 0 6 70 1 0 0 0 0 7 36 1 0 0 0 0 7 71 1 0 0 0 0 8 37 1 0 0 0 0 8 72 1 0 0 0 0 9 40 1 0 0 0 0 9 73 1 0 0 0 0 10 39 2 0 0 0 0 11 43 1 0 0 0 0 11 74 1 0 0 0 0 12 46 1 0 0 0 0 12 77 1 0 0 0 0 13 44 2 0 0 0 0 14 50 1 0 0 0 0 14 78 1 0 0 0 0 15 51 1 0 0 0 0 15 79 1 0 0 0 0 16 52 1 0 0 0 0 16 80 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 1 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 19 31 2 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 21 57 1 0 0 0 0 22 26 1 0 0 0 0 22 58 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 34 2 0 0 0 0 25 28 1 0 0 0 0 25 33 2 0 0 0 0 26 30 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 38 2 0 0 0 0 28 61 1 0 0 0 0 29 35 1 0 0 0 0 29 37 2 0 0 0 0 30 32 1 0 0 0 0 30 40 2 0 0 0 0 31 36 1 0 0 0 0 31 62 1 0 0 0 0 32 42 2 0 0 0 0 33 39 1 0 0 0 0 33 63 1 0 0 0 0 34 41 1 0 0 0 0 35 36 2 0 0 0 0 37 39 1 0 0 0 0 38 43 1 0 0 0 0 38 64 1 0 0 0 0 40 45 1 0 0 0 0 41 43 2 0 0 0 0 41 66 1 0 0 0 0 42 46 1 0 0 0 0 42 67 1 0 0 0 0 44 47 1 0 0 0 0 45 46 2 0 0 0 0 45 68 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 51 1 0 0 0 0 48 75 1 0 0 0 0 49 50 2 0 0 0 0 49 76 1 0 0 0 0 50 52 1 0 0 0 0 51 52 2 0 0 0 0 M END > 467321 > 1 > 1600 > 16 > 11 > 5 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aMECBAAAAACRUAAAGgAACAAADBSgmAIwDoAABgCIAqDSCAICCAAkIAAAiAFGiMgNNzKGNRqCeSGlwBULuYfK7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate > 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-1-benzo[7]annulenyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester > [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate > [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate > [(2R,3R)-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate > 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-keto-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzocyclohepten-1-yl]chroman-3-yl] ester > InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1 > GPLOTACQBREROW-WQLSNUALSA-N > 1.8 > 716.13773480 > C36H28O16 > 716.6 > C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O > C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O > 284 > 716.13773480 > 0 > 52 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 53 5 19 23 8 19 31 8 21 25 6 23 28 8 23 29 8 24 27 8 24 34 8 25 28 8 25 33 8 27 38 8 29 35 8 29 37 8 18 3 6 30 32 8 30 40 8 31 36 8 32 42 8 33 39 8 34 41 8 35 36 8 37 39 8 38 43 8 22 4 6 40 45 8 41 43 8 42 46 8 45 46 8 47 48 8 47 49 8 48 51 8 49 50 8 50 52 8 51 52 8 $$$$