446532 -OEChem-10051721023D 25 25 0 1 0 0 0 0 0999 V2000 1.8500 -2.3262 -0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 -0.5552 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 0.4046 -0.1893 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4491 1.8465 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 0.2264 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 2.0591 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 -0.1502 1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 0.4450 -1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -0.3140 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 0.2813 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2171 -0.0982 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 -1.8190 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 0.1837 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 2.1075 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 2.5464 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -0.3015 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 1.7986 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 3.1104 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 1.4582 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -0.3070 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 0.7428 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 -0.6052 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2707 0.4502 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2931 -0.2244 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 -2.3735 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 M END > DB07436 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UERJGKDKJBSKQN-SNVBAGLBSA-N/SDF?record_type=3d > [H][C@](CC)(NC=O)C1=CC=CC=C1 > InChI=1S/C10H13NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,11,12)/t10-/m1/s1 > UERJGKDKJBSKQN-SNVBAGLBSA-N > C10H13NO > 163.2163 > 163.099714043 > 1 > 25 > 5.966675132424916e-09 > 18.211955886218966 > 1 > 1 > 0 > 1 > N-[(1R)-1-phenylpropyl]formamide > 2.03 > 1.8082595666666668 > -2.31 > 0 > 0 > 1 > 0 > 16.143941929869012 > -1.1749268199828529 > 29.1 > 48.42750000000001 > 3 > 1 > 7.92e-01 g/l > tetrahydrofolic acid > 1 $$$$