Mrv1652309022217292D 14 14 0 0 0 0 999 V2000 -0.8305 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -3.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 -2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 -2.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -3.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 -3.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2687 -4.2147 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 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0157979 > NP-MRD > CCCCCC1(C)CCC(C)(C)C1=O > InChI=1S/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3 > PUKWIVZFEZFVAT-UHFFFAOYSA-N > C13H24O > 196.334 > 196.182715393 > 1 > 38 > 24.67119395307794 > 1 > 0 > 0 > 1 > 2,2,5-trimethyl-5-pentylcyclopentan-1-one > 4.48 > 5.019901420333333 > -4.54 > 0 > 1 > 0 > -7.588416423153072 > 17.07 > 60.2014 > 4 > 0 > 5.71e-03 g/l > 2,2,5-trimethyl-5-pentylcyclopentan-1-one > 1 > NP0157979 > trimethyl-pentylcyclopentanone $$$$