15558371 CDK 0517221028 35 35 0 0 0 0 0 0 0 0999 V2000 3.4106 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -2.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -0.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -2.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 24 2 0 0 0 0 19 25 2 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 23 27 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 M END > CHEBI:191927 > Adlupone > 2 > 5-hydroxy-4-(2-methylbutanoyl)-2,2,6,6-tetrakis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione > C31H46O4 > 482.705 > 482.33961 > 0 > O=C1C(C(O)=C(C(=O)C1(CC=C(C)C)CC=C(C)C)C(=O)C(CC)C)(CC=C(C)C)CC=C(C)C > InChI=1S/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3 > NHAJHKARKKFXMR-UHFFFAOYSA-N $$$$