3306 -OEChem-08132000013D 28 28 0 1 0 0 0 0 0999 V2000 0.8800 0.6791 1.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -2.2169 0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 0.1857 0.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 0.8355 0.4384 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6513 -0.0974 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 0.5567 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 -0.7199 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -0.7155 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.5683 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 -0.9760 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 1.3078 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 -0.4430 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 0.0358 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.8780 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 0.0099 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -1.1406 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 1.1511 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -1.7585 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -0.6206 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -1.5113 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 2.5647 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 0.8382 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 2.0954 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 0.5745 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -0.5615 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 -1.1398 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4555 -0.1541 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -2.2180 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > DB08985 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SQVIAVUSQAWMKL-UHFFFAOYSA-N/SDF?record_type=3d > CCNCC(O)C1=CC=CC(O)=C1 > InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3 > SQVIAVUSQAWMKL-UHFFFAOYSA-N > C10H15NO2 > 181.2316 > 181.110278729 > 3 > 28 > 0.994139204079534 > 20.330155327166683 > 1 > 3 > 0 > 1 > 3-[2-(ethylamino)-1-hydroxyethyl]phenol > 0.01 > 0.23289200996352086 > -1.12 > 0 > 1 > 1 > 1 > 14.239329783146266 > 9.104647437506527 > 9.732244838342494 > 52.49 > 51.998 > 4 > 1 > 1.38e+01 g/l > unii-71TH42O2CQ > 0 $$$$