Mrv1652304292202062D 14 15 0 0 1 0 999 V2000 -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 -0.4125 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 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 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 O 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 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 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 4 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 6 0 0 0 7 13 1 1 0 0 0 3 14 1 0 0 0 0 M END > NP0079030 > NP-MRD > C[C@@H]1CC(=O)C2=C(O)C=CC=C2[C@H]1O > InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3/t6-,11+/m1/s1 > YUPNHTWYVBHLMG-KBUNVGBDSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 19.8981392403406 > 1 > 2 > 0 > 1 > (3R,4S)-4,8-dihydroxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-one > 0.93 > 1.761721106 > -1.43 > 0 > 2 > 0 > 14.123228386252883 > 8.595060819186864 > -3.2465885806870274 > 57.53 > 52.2947 > 0 > 1 > 7.22e+00 g/l > (3R,4S)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one > 0 > NP0079030 > (+)-epi-Isoshinanolone $$$$