445302 -OEChem-10051720203D 23 23 0 0 0 0 0 0 0999 V2000 -2.1122 -2.1440 -0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -0.4674 0.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -1.8593 0.5922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 1.5671 -0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.1402 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.0498 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.8085 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 1.3161 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.2012 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 -0.6637 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 1.9232 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 1.1647 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 0.3951 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.3123 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 1.9357 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 -0.7797 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 2.9856 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 1.6373 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.1049 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9856 -2.4991 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -0.6602 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -1.1511 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 0.3816 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 10 2 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > DB03667 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCFWLDHLJWUGSU-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)ONC(=O)C1=C(O)C=CC=C1 > InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13) > PCFWLDHLJWUGSU-UHFFFAOYSA-N > C9H9NO4 > 195.1721 > 195.053157781 > 3 > 23 > -0.0893360382429491 > 18.412347802184044 > 1 > 2 > 0 > 1 > (2-hydroxyphenyl)formamido acetate > 1.18 > 1.3100320239999996 > -1.93 > 0 > 0 > 1 > 0 > 12.974843091312358 > 8.008337178656399 > -6.249440103085698 > 75.63 > 48.0334 > 3 > 1 > 2.28e+00 g/l > biotin > 0 $$$$