54684468 -OEChem-05142400042D 65 67 0 1 0 0 0 0 0999 V2000 8.0423 4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0963 -0.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 1.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8119 1.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4444 4.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1871 -0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 5.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1764 2.7037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5470 1.3551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2882 0.3892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3104 2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9154 -0.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7500 3.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5734 0.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9459 0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3572 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 2.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 4.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 -0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3677 3.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 4.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 3.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 -1.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 -2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 -3.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 -4.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 -5.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 2.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0566 -1.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6202 -1.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7253 4.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 4.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 -0.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 2.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1288 1.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1428 2.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 3.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5053 3.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0671 -1.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4971 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 4.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8071 -2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 2.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0671 -3.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 4.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8071 -4.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 3.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 2.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 2.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 -5.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3771 -5.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2240 -5.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 24 1 0 0 0 0 13 2 1 1 0 0 0 2 46 1 0 0 0 0 3 15 2 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 20 1 0 0 0 0 6 48 1 0 0 0 0 7 22 1 0 0 0 0 7 53 1 0 0 0 0 8 24 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 18 1 6 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 6 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 1 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 18 25 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 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 M END > 54684468 > 1 > 1180 > 8 > 3 > 6 > AAADceB4PAAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAAAAAAAGgAACAAAD0SAgAACCAAABgCIAqDSCAIAAAAgIAAICAFAAEgJBBYIIQACUAAE4AALsYOL7vzvgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (3R,4S,5Z,7S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-7-[(2S)-3-hydroxy-2,4-dimethyl-5-oxo-2-furyl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methyl-bicyclo[2.2.2]octane-2,6-dione > (3R,4S,5Z,7S)-3-hydroxy-7-[(2S)-3-hydroxy-2,4-dimethyl-5-oxo-2-furanyl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methyl-7-[(2E,4E)-1-oxohexa-2,4-dienyl]bicyclo[2.2.2]octane-2,6-dione > (3R,4S,5Z,7S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-7-[(2S)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methylbicyclo[2.2.2]octane-2,6-dione > (3R,4S,5Z,7S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-7-[(2S)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-methylbicyclo[2.2.2]octane-2,6-dione > (3R,4S,5Z,7S)-7-[(2S)-2,4-dimethyl-3-oxidanyl-5-oxidanylidene-furan-2-yl]-7-[(2E,4E)-hexa-2,4-dienoyl]-3-methyl-3-oxidanyl-5-[(2E,4E)-1-oxidanylhexa-2,4-dienylidene]bicyclo[2.2.2]octane-2,6-dione > (3R,4S,5Z,7S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-7-[(2S)-3-hydroxy-5-keto-2,4-dimethyl-2-furyl]-3-methyl-bicyclo[2.2.2]octane-2,6-quinone > InChI=1S/C27H30O8/c1-6-8-10-12-17(28)19-16-14-27(18(29)13-11-9-7-2,20(21(19)30)23(32)25(16,4)34)26(5)22(31)15(3)24(33)35-26/h6-13,16,20,28,31,34H,14H2,1-5H3/b8-6+,9-7+,12-10+,13-11+,19-17-/t16-,20?,25+,26+,27-/m0/s1 > TXXBGEMJBIMOSU-FQQGFQQRSA-N > 2.6 > 482.19406791 > C27H30O8 > 482.5 > CC=CC=CC(=C1C2CC(C(C1=O)C(=O)C2(C)O)(C(=O)C=CC=CC)C3(C(=C(C(=O)O3)C)O)C)O > C/C=C/C=C/C(=C/1\[C@@H]2C[C@@](C(C1=O)C(=O)[C@]2(C)O)(C(=O)/C=C/C=C/C)[C@]3(C(=C(C(=O)O3)C)O)C)/O > 138 > 482.19406791 > 0 > 35 > 4 > 1 > 5 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 3 11 37 6 14 21 5 13 2 5 9 18 6 $$$$