3314 -OEChem-10051722023D 24 24 0 0 0 0 0 0 0999 V2000 2.0666 1.4819 0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -0.9369 -0.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -0.5156 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -0.3684 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 0.5611 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 0.4237 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 -1.7296 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -0.7904 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -1.8670 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 0.1086 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 2.3700 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 1.2627 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -1.3313 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 0.3063 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.5101 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 -2.5758 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -2.8182 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -0.5407 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 2.8354 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 1.8386 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 3.1548 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -1.8416 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 1.5427 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 1.9441 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB09086 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RRAFCDWBNXTKKO-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(O)C=CC(CC=C)=C1 > InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 > RRAFCDWBNXTKKO-UHFFFAOYSA-N > C10H12O2 > 164.2011 > 164.083729628 > 2 > 24 > -0.0011420507648263196 > 17.896536620818402 > 1 > 1 > 0 > 1 > 2-methoxy-4-(prop-2-en-1-yl)phenol > 2.66 > 2.6105799616666663 > -2.06 > 0 > 0 > 1 > 0 > 9.941818320747016 > -4.892303223457161 > 29.46 > 48.7894 > 3 > 1 > 1.44e+00 g/l > tetrahydrofolic acid > 1 $$$$