Mrv1533004231515032D 23 24 0 0 0 0 999 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 2.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 2.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 3.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 3.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 2.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5991 1.4857 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 7 13 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 4 0 0 0 19 20 2 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > NP0329924 > NP-MRD > CC1CCC2(C)C(CCC=C2C)C1(C)CCC(=CC=O)C(O)=O > InChI=1S/C20H30O3/c1-14-6-5-7-17-19(14,3)11-8-15(2)20(17,4)12-9-16(10-13-21)18(22)23/h6,10,13,15,17H,5,7-9,11-12H2,1-4H3,(H,22,23) > VDJGJNIZFLWFMY-UHFFFAOYSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 36.4307926433441 > 1 > 1 > 0 > 1 > 2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)ethyl]-4-oxobut-2-enoic acid > 5.21 > 4.454727660666667 > -4.98 > 0 > 2 > -1 > 3.8238000312620195 > -6.555239018967863 > 54.370000000000005 > 93.78549999999997 > 5 > 1 > 3.33e-03 g/l > 2-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-oxobut-2-enoic acid > 0 > NP0329924 > 2-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-oxobut-2-enoic acid $$$$