Mrv1652304282205392D 20 21 0 0 1 0 999 V2000 -0.0425 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -1.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0374 -1.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -2.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2674 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -3.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -3.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.4284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8600 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 -0.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 1.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3199 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.4284 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 3 10 1 1 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 6 0 0 0 M END > NP0058296 > NP-MRD > COC(=O)C1=CCC[C@@H](C1)[C@]1(C)CC[C@H](O1)C(C)(C)O > InChI=1S/C16H26O4/c1-15(2,18)13-8-9-16(3,20-13)12-7-5-6-11(10-12)14(17)19-4/h6,12-13,18H,5,7-10H2,1-4H3/t12-,13-,16-/m0/s1 > GLZYRKYVXBYFCI-XEZPLFJOSA-N > C16H26O4 > 282.38 > 282.183109317 > 3 > 46 > 32.27287194314047 > 1 > 1 > 0 > 1 > methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate > 2.70 > 2.504150262666666 > -3.22 > 0 > 2 > 0 > 14.325328774073398 > -3.0939011942202947 > 55.760000000000005 > 77.5113 > 4 > 1 > 1.70e-01 g/l > methyl (5S)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate > 0 > NP0058296 > 4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester $$$$