25200582 -OEChem-10051720323D 21 21 0 1 0 0 0 0 0999 V2000 -3.9276 0.2086 -0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 -0.1340 -1.5874 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1316 1.3663 -0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 -1.6176 1.0671 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5851 -0.2184 0.7077 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1280 -0.1052 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 1.0477 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 -1.1527 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 0.3944 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 1.1531 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -1.0475 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 0.1054 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.3473 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 -1.6240 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9753 -2.2542 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -2.0148 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 1.8721 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 -2.0575 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 2.0539 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 -1.8690 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -0.6058 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 18 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB04308 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LJCWONGJFPCTTL-SSDOTTSWSA-N/SDF?record_type=3d > [H][C@](N)(C(O)=O)C1=CC=C(O)C=C1 > InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1 > LJCWONGJFPCTTL-SSDOTTSWSA-N > C8H9NO3 > 167.162 > 167.058243159 > 4 > 21 > -0.02938682703189799 > 16.103775281757585 > 1 > 3 > 0 > 0 > (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid > -2.44 > -1.7765108551703703 > -1.35 > 0 > 0 > 1 > 0 > 9.552728375989512 > 1.739817834330522 > 8.570924470080937 > 83.55000000000001 > 42.3422 > 2 > 1 > 7.44e+00 g/l > tetrahydrofolic acid > 0 $$$$