4581 -OEChem-10061700183D 22 22 0 1 0 0 0 0 0999 V2000 -2.1802 0.0432 1.5273 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 -0.2960 -0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -0.1741 -0.7196 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 0.4361 0.2163 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2781 0.2427 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -0.3774 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 1.3417 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 -1.0377 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 1.1603 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -1.2190 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 -0.1200 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 1.4988 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -1.4506 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -0.0986 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 2.3456 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 -1.9064 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 2.0248 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 -2.2183 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 0.1577 1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4454 -0.6784 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1887 0.8120 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 0.5696 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 M END > DB13251 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QHGUCRYDKWKLMG-UHFFFAOYSA-N/SDF?record_type=3d > NCC(O)C1=CC=C(O)C=C1 > InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 > QHGUCRYDKWKLMG-UHFFFAOYSA-N > C8H11NO2 > 153.1784 > 153.078978601 > 3 > 22 > 0.9863536304023005 > 16.164567357619365 > 1 > 3 > 0 > 0 > 4-(2-amino-1-hydroxyethyl)phenol > -0.94 > -0.32449219793984985 > -0.95 > 0 > 1 > 1 > 1 > 14.277816208683214 > 9.64449718047148 > 8.983439709187925 > 66.48 > 42.4748 > 2 > 1 > 1.72e+01 g/l > tetrahydrofolic acid > 0 $$$$