4775 -OEChem-10051722083D 24 24 0 0 0 0 0 0 0999 V2000 -4.4670 -0.1717 -0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 1.4162 0.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 -0.3745 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -0.6520 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -0.1387 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 -0.9230 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 1.1513 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -1.2151 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 0.2390 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 1.3695 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -0.9967 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 0.2956 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 -1.2168 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 0.4924 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 -1.5182 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 0.2005 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 -1.7957 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -1.1527 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 1.9939 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -2.2255 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 2.3756 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 -1.8330 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9138 0.4656 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 0.5822 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 24 1 0 0 0 0 2 9 2 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 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > DB06819 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OBKXEAXTFZPCHS-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCCC1=CC=CC=C1 > InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) > OBKXEAXTFZPCHS-UHFFFAOYSA-N > C10H12O2 > 164.2011 > 164.083729628 > 2 > 24 > -0.9935932430860649 > 17.993599327584747 > 1 > 1 > 0 > 1 > 4-phenylbutanoic acid > 2.29 > 2.5001314353333326 > -2.51 > 0 > -1 > 1 > -1 > 4.809429616812308 > 37.3 > 46.56760000000001 > 4 > 1 > 5.13e-01 g/l > tetrahydrofolic acid > 1 $$$$