Mrv0541 02231215392D 8 8 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 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 0.0000 0.8250 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 2.0625 0.0000 O 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 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 M END > DB01688 > drugbank > CC1=CC=C(O)C=C1 > InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 > IWDCLRJOBJJRNH-UHFFFAOYSA-N > C7H8O > 108.1378 > 108.057514878 > 1 > 16 > -0.0004390095090909201 > 11.926991180769898 > 1 > 1 > 0 > 0 > 4-methylphenol > 1.95 > 2.1831018836666667 > -0.67 > 0 > 0 > 1 > 0 > 10.357335371423924 > -5.436049745016865 > 20.23 > 33.0801 > 0 > 1 > 2.31e+01 g/l > biotin > 1 > DB01688 > EXPT02525 > experimental > P-Cresol $$$$