241868 -OEChem-10051721273D 23 23 0 0 0 0 0 0 0999 V2000 3.4139 -0.3007 -0.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 0.2676 -1.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 0.2732 0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -0.1560 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0819 -0.1043 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -1.3682 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 1.0079 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -0.2528 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -1.4166 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 0.9596 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9774 0.1644 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 0.9259 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -1.0507 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 0.6736 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.2816 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.9584 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7752 -2.3637 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 1.9004 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 0.1815 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0163 0.4506 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 1.3301 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 1.6531 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.7028 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > DB08767 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OLKQIWCQICCYQS-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(CC(N)=O)C=C1 > InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11) > OLKQIWCQICCYQS-UHFFFAOYSA-N > C9H11NO2 > 165.1891 > 165.078978601 > 2 > 23 > -6.996607760173908e-10 > 17.14424270149042 > 1 > 1 > 0 > 1 > 2-(4-methoxyphenyl)acetamide > 0.84 > 0.6463802260000002 > -1.96 > 0 > 0 > 1 > 0 > 16.038562093515964 > -2.6667824716272475 > 52.32000000000001 > 45.65100000000001 > 3 > 1 > 1.82e+00 g/l > tetrahydrofolic acid > 0 $$$$