5288573 -OEChem-10051721113D 28 29 0 0 0 0 0 0 0999 V2000 0.0236 1.6213 0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 0.6051 -1.3404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 2.1028 0.4946 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 0.7519 -0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 -1.1323 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -0.2085 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 -0.6920 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 -0.5206 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 0.6713 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 1.2512 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -2.6183 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -1.5694 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -0.6336 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 1.1720 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 -1.0857 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 0.2847 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 0.2531 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1707 -1.4456 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -2.8794 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 -3.1157 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 -3.0517 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -2.6476 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -0.8749 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4182 -1.4127 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 2.2440 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -1.7949 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 0.4898 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -0.0040 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 16 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 M END > DB07908 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VCGFYFKJZGIZMX-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12 > InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3 > VCGFYFKJZGIZMX-UHFFFAOYSA-N > C12H12O4 > 220.2213 > 220.073558872 > 3 > 28 > -0.14399957145138154 > 22.468684988831004 > 1 > 2 > 0 > 1 > 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one > 1.35 > 1.1826294363333334 > -2.53 > 0 > 0 > 2 > 0 > 15.908187272631947 > 7.774112782249373 > -2.4015588884280907 > 66.76 > 58.69830000000001 > 2 > 1 > 6.52e-01 g/l > tetrahydrofolic acid > 0 $$$$