92337 -OEChem-10051720463D 31 32 0 1 0 0 0 0 0999 V2000 -0.7173 -0.9249 1.9199 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -0.5394 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 -1.7672 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 0.6677 -0.2224 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8621 0.5114 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 0.2190 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 -0.1455 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0906 1.0220 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -0.2915 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 0.8758 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 1.4793 0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 0.0701 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0829 -0.6748 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 -1.0515 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 1.0497 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 -1.1935 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 0.9075 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -0.2141 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.1917 -1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.5494 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 1.5365 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 1.2800 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 2.4334 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 0.9351 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 1.7023 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 -1.8244 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 1.9304 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7936 -2.0667 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 1.6701 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2067 -0.3248 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8883 -1.4089 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 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 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB05289 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SYTBZMRGLBWNTM-SNVBAGLBSA-N/SDF?record_type=3d > C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1 > InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1 > SYTBZMRGLBWNTM-SNVBAGLBSA-N > C15H13FO2 > 244.2609 > 244.089957865 > 2 > 31 > -0.9973660215814436 > 25.30572166607245 > 1 > 1 > 0 > 1 > (2R)-2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoic acid > 3.57 > 3.943907682 > -3.99 > 0 > -1 > 2 > -1 > 4.421757643734796 > 37.3 > 67.29270000000002 > 3 > 1 > 2.49e-02 g/l > tetrahydrofolic acid > 1 $$$$