Mrv1652309102213242D 19 19 0 0 1 0 999 V2000 -2.3961 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9836 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 -0.8187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4914 -1.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -2.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 -0.1043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1234 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 2.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 6 1 6 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 2 0 0 0 0 M END > NP0299536 > NP-MRD > CC(=O)CC[C@@H](OC=O)[C@]1(C)CCCC(C)(C)C1=O > InChI=1S/C15H24O4/c1-11(17)6-7-12(19-10-16)15(4)9-5-8-14(2,3)13(15)18/h10,12H,5-9H2,1-4H3/t12-,15+/m1/s1 > OSVHEUJSRDQUMA-DOMZBBRYSA-N > C15H24O4 > 268.353 > 268.167459253 > 3 > 43 > 29.189491881655062 > 1 > 0 > 0 > 1 > (1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl formate > 3.1909008133333328 > 0 > 1 > 0 > 19.019694105505177 > -6.64739165837432 > 60.440000000000005 > 71.5944 > 6 > 1 > (1R)-4-oxo-1-[(1S)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl formate > 0 > NP0299536 > (1r)-4-oxo-1-[(1s)-1,3,3-trimethyl-2-oxocyclohexyl]pentyl formate $$$$