CDK 1030232201 37 39 0 0 0 0 0 0 0 0999 V2000 7.8592 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3193 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 -0.4311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3184 -1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 0.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 -1.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -1.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 13 6 1 6 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 16 18 1 6 0 0 0 19 16 1 0 0 0 0 17 20 1 1 0 0 0 21 17 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 1 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 6 0 0 0 22 29 2 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 25 32 2 0 0 0 0 27 33 1 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 8 11 2 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 M END > CHEBI:213760 > Oxosorbiquinol > 2 > (1R,3S,4S,5Z,7R,8R)-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethyl-7-[(E)-prop-1-enyl]-8-[(5R)-2,4,5-trihydroxy-3,5-dimethyl-6-oxocyclohexa-1,3-diene-1-carbonyl]bicyclo[2.2.2]octane-2,6-dione > C28H32O9 > 512.555 > 512.20463 > 0 > O=C1C(=C(O)C(C)=C([C@]1(O)C)O)C(=O)[C@H]2[C@H]3\C(\C(=O)[C@]([C@@H]2/C=C/C)(C)C([C@]3(O)C)=O)=C(\O)/C=C/C=C/C > InChI=1S/C28H32O9/c1-7-9-10-12-15(29)17-19-16(14(11-8-2)26(4,23(17)33)25(35)27(19,5)36)21(31)18-20(30)13(3)22(32)28(6,37)24(18)34/h7-12,14,16,19,29-30,32,36-37H,1-6H3/b9-7+,11-8+,12-10+,17-15-/t14-,16-,19+,26-,27+,28-/m1/s1 > BSXBXXRYMBMLDB-NAYJBTNJSA-N $$$$