Mrv0541 05061310162D 13 14 0 0 0 0 999 V2000 4.7079 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 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 3.2789 1.2375 0.0000 C 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 3.9934 0.0000 0.0000 C 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 1.2949 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 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -0.8205 0.0000 O 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 4 3 1 0 0 0 0 6 1 1 0 0 0 0 6 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 13 10 1 0 0 0 0 M END > NP0188401 > NP-MRD > CC1CCC2=C(C)C(=O)OC2(O)C1 > InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3 > LBNWZGLSMCTAQB-UHFFFAOYSA-N > C10H14O3 > 182.2164 > 182.094294314 > 2 > 19.286295793373856 > 1 > 1 > 0 > 1 > 7a-hydroxy-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one > 1.04 > 1.9641011203333327 > -0.67 > 0 > 2 > 0 > 11.26057604085037 > -4.434424039732048 > 46.53 > 47.75440000000001 > 0 > 1 > 3.88e+01 g/l > 7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one > 0 > NP0188401 > 7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one $$$$