Mrv1533004161513442D 26 27 0 0 0 0 999 V2000 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -0.1930 0.0000 O 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 -0.8250 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 -0.8250 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 0.7145 -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 -2.1434 -2.0625 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 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 -3.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 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 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 5 26 1 0 0 0 0 17 26 1 0 0 0 0 M END > NP0288241 > NP-MRD > CC(=O)OC1CC(C)(O)C(CCC(=C)C=C)C2(C)CCCC(C)(CO)C12 > InChI=1S/C22H36O4/c1-7-15(2)9-10-18-21(5)12-8-11-20(4,14-23)19(21)17(26-16(3)24)13-22(18,6)25/h7,17-19,23,25H,1-2,8-14H2,3-6H3 > LMNJWVHEXIESCY-UHFFFAOYSA-N > C22H36O4 > 364.526 > 364.261359639 > 3 > 62 > 41.999533360296084 > 1 > 2 > 0 > 1 > 3-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-1-yl acetate > 3.10 > 3.0052613236666663 > -4.46 > 0 > 2 > 0 > 15.245133004094704 > 14.54606748147964 > -2.7530105253759816 > 66.76 > 103.63040000000001 > 7 > 1 > 1.25e-02 g/l > 3-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-en-1-yl)-hexahydro-1H-naphthalen-1-yl acetate > 0 > NP0288241 > 3-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-1-yl acetate $$$$