21725257 CDK 1019211303 18 19 0 0 0 0 0 0 0 0999 V2000 5.1312 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 1.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 -0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3861 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 -1.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 -1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:181287 > (4E,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione > 2 > (4E,7Z)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione > C15H18O3 > 246.306 > 246.12559 > 0 > O1C2C(C)(C)C=CC(=O)C(=CCCC(=C2)C1=O)C > InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+ > CAHQQYHQUHYOGU-GBLFQTLVSA-N $$$$