Mrv0541 05061308352D 18 19 0 0 0 0 999 V2000 3.5724 -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 1.1270 -1.1270 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 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 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 3.5724 1.2375 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 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 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 2.1434 -0.4125 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 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 13 12 1 0 0 0 0 14 2 1 0 0 0 0 14 3 1 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 15 7 1 0 0 0 0 15 8 1 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 M END > NP0328491 > NP-MRD > CC1=C2C(O)C(CCC2(C)CCC1=O)C(C)(C)O > InChI=1S/C15H24O3/c1-9-11(16)6-8-15(4)7-5-10(14(2,3)18)13(17)12(9)15/h10,13,17-18H,5-8H2,1-4H3 > SFZZQUDRSYFRDA-UHFFFAOYSA-N > C15H24O3 > 252.3493 > 252.172544634 > 3 > 28.52963230516029 > 1 > 2 > 0 > 1 > 8-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one > 1.52 > 1.5735987216666667 > -2.20 > 0 > 2 > 0 > 15.141045399393956 > 14.129366266764514 > -2.8091017476479854 > 57.53 > 71.27729999999998 > 1 > 1 > 1.59e+00 g/l > 8-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one > 0 > NP0328491 > 8-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one $$$$