Mrv1533004251513552D 14 15 0 0 0 0 999 V2000 1.4289 -2.4750 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 0.7145 -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 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 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 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 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 2 14 1 0 0 0 0 7 14 1 0 0 0 0 M END > NP0306388 > NP-MRD > CC1CC(O)CC2=CC(O)=CC(O)=C12 > InChI=1S/C11H14O3/c1-6-2-8(12)3-7-4-9(13)5-10(14)11(6)7/h4-6,8,12-14H,2-3H2,1H3 > WEHCLKPVYGSJHR-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.535780041690547 > 1 > 3 > 0 > 1 > 8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol > 1.01 > 1.7186699479999998 > -1.53 > 0 > 2 > 0 > 11.008772898283372 > 9.66254961788994 > -2.7535477977537273 > 60.69 > 53.7201 > 0 > 1 > 5.76e+00 g/l > 8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol > 0 > NP0306388 > 8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol $$$$