Mrv1652306222023522D 27 30 0 0 0 0 999 V2000 0.1513 0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 2.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 1.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6281 2.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 1.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4743 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 -1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8462 -0.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 -1.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 2.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 2.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 1.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 10 1 2 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 17 2 1 0 0 0 0 17 5 1 0 0 0 0 17 13 1 0 0 0 0 17 15 1 0 0 0 0 18 8 1 0 0 0 0 18 9 1 0 0 0 0 18 11 1 0 0 0 0 18 12 1 0 0 0 0 19 7 1 0 0 0 0 19 9 1 0 0 0 0 19 10 1 0 0 0 0 20 6 1 0 0 0 0 20 11 1 0 0 0 0 20 13 1 0 0 0 0 20 16 1 0 0 0 0 21 14 2 0 0 0 0 22 14 1 0 0 0 0 23 15 2 0 0 0 0 24 15 1 0 0 0 0 25 16 2 0 0 0 0 26 16 1 0 0 0 0 27 19 1 0 0 0 0 M END > CDB005245 > CDB > CC1(CCCC2(C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O)C(O)=O > InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26) > AUKMHZZVLPQAOX-UHFFFAOYSA-N > C20H26O7 > 378.4162 > 378.167853186 > 7 > 53 > 38.00279972969073 > 1 > 4 > 0 > 1 > 12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4,8-tricarboxylic acid > 0.87 > 1.6183994466666656 > -2.32 > 0 > 4 > -3 > 4.2114758317214935 > 3.6706151981585506 > -0.9048980003250794 > 132.13 > 92.24779999999997 > 3 > 1 > 1.80e+00 g/l > 12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4,8-tricarboxylic acid > 0 > CDB005245 > Gibberellin A17 $$$$