54680453 -OEChem-03282404372D 68 70 0 1 0 0 0 0 0999 V2000 8.0021 -0.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 3.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0382 4.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4149 2.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1829 2.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 -0.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7900 -0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 -2.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 0.6202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8911 1.2122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1499 2.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1764 1.5599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9133 3.0268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0958 -0.2861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7793 3.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 1.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4087 3.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9474 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8802 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -2.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 -1.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 -2.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 -3.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 -4.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 0.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6711 0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2175 2.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0076 2.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5692 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8099 3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7869 3.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 2.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 2.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7873 0.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 0.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 -0.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0481 -1.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -1.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 -2.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -3.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0379 -3.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 -0.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 2.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 -1.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 0.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -2.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7651 2.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 -3.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 1.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 0.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 0.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7531 -4.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 -5.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 -4.8027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 13 1 0 0 0 0 2 49 1 0 0 0 0 3 15 2 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 51 1 0 0 0 0 7 23 1 0 0 0 0 7 56 1 0 0 0 0 8 25 2 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 37 1 1 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 6 0 0 0 12 19 1 1 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 1 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 26 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 54680453 > 1 > 1210 > 8 > 3 > 6 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAAAAAAAGgAACAAAD0SAgAACCAAABgCIAqDSCAIAAAAgIAAICAFAAEgJBBIIIQACUAAEwAALsYPL7vTvgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (1R,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxo-2-furyl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethyl-bicyclo[2.2.2]octane-2,6-dione > (1R,4S,5Z,7R,8S)-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxo-2-furanyl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethyl-7-[(2E,4E)-1-oxohexa-2,4-dienyl]bicyclo[2.2.2]octane-2,6-dione > (1R,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione > (1R,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione > (1R,4S,5Z,7R,8S)-8-[(2S)-2,4-dimethyl-3-oxidanyl-5-oxidanylidene-furan-2-yl]-7-[(2E,4E)-hexa-2,4-dienoyl]-1,3-dimethyl-3-oxidanyl-5-[(2E,4E)-1-oxidanylhexa-2,4-dienylidene]bicyclo[2.2.2]octane-2,6-dione > (1R,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-8-[(2S)-3-hydroxy-5-keto-2,4-dimethyl-2-furyl]-1,3-dimethyl-bicyclo[2.2.2]octane-2,6-quinone > InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,29,31,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16-/t19-,20-,21-,26-,27?,28+/m1/s1 > POOKHYNGUAZJAE-ZTHROODHSA-N > 3 > 496.20971797 > C28H32O8 > 496.5 > CC=CC=CC(=O)C1C(C2C(=C(C=CC=CC)O)C(=O)C1(C(=O)C2(C)O)C)C3(C(=C(C(=O)O3)C)O)C > C/C=C/C=C/C(=O)[C@@H]1[C@H]([C@H]2/C(=C(\C=C\C=C\C)/O)/C(=O)[C@@]1(C(=O)C2(C)O)C)[C@]3(C(=C(C(=O)O3)C)O)C > 138 > 496.20971797 > 0 > 36 > 5 > 1 > 5 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 5 11 18 6 12 19 5 13 20 3 14 22 5 9 37 5 $$$$