Mrv1533004261512422D 14 15 0 0 0 0 999 V2000 3.8092 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 2 14 1 0 0 0 0 8 14 1 0 0 0 0 M END > NP0257697 > NP-MRD > CC12CC(=O)CC(C)(C)C1=CC(=O)O2 > InChI=1S/C11H14O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4H,5-6H2,1-3H3 > DJSMGUVSIWKZJW-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 2 > 28 > 19.981845195005608 > 1 > 0 > 0 > 1 > 4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2,6-dione > 1.69 > 1.5442496616666672 > -1.72 > 0 > 2 > 0 > 18.11375698636606 > -6.741518221644424 > 43.370000000000005 > 51.4203 > 0 > 1 > 3.74e+00 g/l > 4,4,7a-trimethyl-5,7-dihydro-1-benzofuran-2,6-dione > 0 > NP0257697 > 4,4,7a-trimethyl-5,7-dihydro-1-benzofuran-2,6-dione $$$$