9915833 CDK 0602212313 41 46 0 0 0 0 0 0 0 0999 V2000 6.9828 1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1178 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 2.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0787 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7084 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7084 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3237 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0787 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2206 1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9307 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9307 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 1.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5604 2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 26 1 0 0 0 0 7 33 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 18 24 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 29 2 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 30 35 1 0 0 0 0 32 36 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > CHEBI:176053 > Isomorellic acid > 2 > (Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid > C33H36O8 > 560.643 > 560.24102 > 0 > O1C2(C34OC5=C(C(=O)C3=CC(CC4C1(C)C)C2=O)C(O)=C6C(OC(C=C6)(C)C)=C5CC=C(C)C)C/C=C(/C)\C(O)=O > InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10- > COVMVPHACFXMAX-YVLHZVERSA-N $$$$