Mrv1533004241511152D 15 17 0 0 0 0 999 V2000 -0.0009 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 -2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 -3.0795 0.0000 O 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 M END > NP0193187 > NP-MRD > CC1CCC2C3C(OC2=O)C(C)=CCC13 > InChI=1S/C13H18O2/c1-7-3-6-10-11-9(7)5-4-8(2)12(11)15-13(10)14/h4,7,9-12H,3,5-6H2,1-2H3 > VXAMURHMZFPMIP-UHFFFAOYSA-N > C13H18O2 > 206.285 > 206.13067982 > 1 > 33 > 23.159147305453093 > 1 > 0 > 0 > 1 > 7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one > 2.76 > 2.569678622333333 > -2.61 > 0 > 3 > 0 > -7.09675000142926 > 26.3 > 58.2364 > 0 > 1 > 5.11e-01 g/l > 7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one > 1 > NP0193187 > 7,11-dimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-10-en-3-one $$$$