274125 -OEChem-03282405222D 47 51 0 1 0 0 0 0 0999 V2000 7.7372 2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7372 0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -3.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 1.6649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7099 2.6497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7928 3.2290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 0.5482 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2372 1.2553 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0533 1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 2.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 3.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2372 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 1.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4681 3.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 0.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 1.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 1.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 3.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9675 3.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 4.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2563 4.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3572 2.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -0.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 -3.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -3.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 -2.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 40 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 24 1 0 0 0 0 4 45 1 0 0 0 0 5 25 1 0 0 0 0 5 46 1 0 0 0 0 6 28 1 0 0 0 0 6 47 1 0 0 0 0 7 29 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 27 2 0 0 0 0 23 42 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 M END > 274125 > 1 > 910 > 7 > 4 > 2 > AAADceB4OAAAAAAAAAAAAAAAAAAAAYIAAAAwQIEAAAAAAACBAAAAGgAACAAADQSAmAAyDoAABgCIAqDSCAICCAAgIAAIiAFGiMgNJzKGMRqCeCOlwBULuYeI6PyOoAABCAAIQABAAAIQABCAAQAACAAAAA== > 7-methyl-3-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 7-methyl-3-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)-2-bicyclo[2.2.1]hept-5-enecarboxylic acid > 7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 7-methyl-3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 7-methyl-3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > 7-methyl-3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid > InChI=1S/C22H18O7/c1-8-9-2-3-10(8)17(22(27)28)16(9)15-11-4-6-13(23)18(25)20(11)29-21-12(15)5-7-14(24)19(21)26/h2-10,16-17,23,25-26H,1H3,(H,27,28) > BSAMRWOMXJWVCE-UHFFFAOYSA-N > 1.7 > 394.10525291 > C22H18O7 > 394.4 > CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O > CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O > 124 > 394.10525291 > 0 > 29 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 3 11 15 3 12 17 3 15 18 8 15 19 8 18 20 8 18 22 8 19 23 8 20 24 8 21 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 28 8 27 29 8 3 20 8 3 21 8 8 13 3 9 14 3 $$$$