Mrv1533005011512492D 18 19 0 0 0 0 999 V2000 0.7145 -2.8875 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 2.1434 -2.8875 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 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 O 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 0.0000 0.0000 0.0000 O 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 1.4289 0.8250 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 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 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 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 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 2 1 0 0 0 0 2 3 1 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 15 17 1 0 0 0 0 17 18 1 0 0 0 0 4 18 1 0 0 0 0 11 18 1 0 0 0 0 M END > NP0289606 > NP-MRD > CC(C)C1C(O)C(O)C(=C)C2CC(O)C(C)CC12 > InChI=1S/C15H26O3/c1-7(2)13-11-5-8(3)12(16)6-10(11)9(4)14(17)15(13)18/h7-8,10-18H,4-6H2,1-3H3 > DFYIKKVNOBCCJO-UHFFFAOYSA-N > C15H26O3 > 254.37 > 254.188194697 > 3 > 44 > 29.41991296573558 > 1 > 3 > 0 > 1 > 7-methyl-4-methylidene-1-(propan-2-yl)-decahydronaphthalene-2,3,6-triol > 0.80 > 1.3753351083333336 > -1.65 > 0 > 2 > 0 > 14.894618911592605 > 13.430874105739658 > -1.058679775149105 > 60.69 > 71.0684 > 1 > 1 > 5.67e+00 g/l > 1-isopropyl-7-methyl-4-methylidene-octahydro-1H-naphthalene-2,3,6-triol > 0 > NP0289606 > 1-isopropyl-7-methyl-4-methylidene-octahydro-1h-naphthalene-2,3,6-triol $$$$