6041 -OEChem-10051719143D 25 25 0 1 0 0 0 0 0999 V2000 1.2321 -1.9839 -1.4029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6271 1.5025 -1.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 0.8243 0.7285 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 -1.1635 -0.2287 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3112 -0.0239 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.6511 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 0.1969 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -1.0201 1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.6757 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -0.5414 1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6219 0.3065 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 1.8781 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -1.8093 0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 0.5732 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 -0.4727 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 0.4841 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -1.6796 1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 0.2571 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -0.8286 2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -2.3133 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 0.6724 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 2.5269 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 1.4682 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4883 2.5036 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 1.7357 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > DB00388 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SONNWYBIRXJNDC-VIFPVBQESA-N/SDF?record_type=3d > CNC[C@H](O)C1=CC(O)=CC=C1 > InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 > SONNWYBIRXJNDC-VIFPVBQESA-N > C9H13NO2 > 167.205 > 167.094628665 > 3 > 25 > 0.9881946875676657 > 18.1996347550983 > 1 > 3 > 0 > 1 > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol > -0.69 > -0.07016072310749853 > -0.88 > 0 > 1 > 1 > 1 > 14.239851398869074 > 9.067801130196546 > 9.687080513614072 > 52.49 > 47.2494 > 3 > 1 > 2.20e+01 g/l > biotin > 0 $$$$