Mrv1533004171523112D 18 19 0 0 0 0 999 V2000 0.7145 1.2375 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 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 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 -2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 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 -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 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 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 2 1 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 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 4 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M END > NP0330369 > NP-MRD > COC1=C2C=CC(C)(C)OC2=CC(O)=C1C(C)=O > InChI=1S/C14H16O4/c1-8(15)12-10(16)7-11-9(13(12)17-4)5-6-14(2,3)18-11/h5-7,16H,1-4H3 > YZCIFCCSUSQBBT-UHFFFAOYSA-N > C14H16O4 > 248.278 > 248.104858995 > 4 > 34 > 26.199131342599678 > 1 > 1 > 0 > 1 > 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one > 2.79 > 2.620280149333333 > -2.97 > 0 > 2 > 0 > 16.128304991129994 > 9.337341916616902 > -4.620797587670422 > 55.76 > 69.29830000000003 > 2 > 1 > 2.65e-01 g/l > 1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone > 0 > NP0330369 > 1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone $$$$