445228 -OEChem-10051719503D 24 25 0 1 0 0 0 0 0999 V2000 0.9155 -1.6321 -0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2203 -1.9726 -0.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 2.4816 -0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7586 -0.8283 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7106 0.6580 -0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4478 1.1041 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 0.6574 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.7215 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 -1.1628 0.3557 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5418 0.2868 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 -1.2221 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 1.5360 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.3435 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 1.0325 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8178 0.1265 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -1.2700 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 -2.2938 -0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8197 2.6124 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 1.7695 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 -2.3955 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 2.5555 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 0.6985 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7586 -0.4335 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 0.7738 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 M END > DB02185 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GDNZNIJPBQATCZ-SECBINFHSA-N/SDF?record_type=3d > [H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O > InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1 > GDNZNIJPBQATCZ-SECBINFHSA-N > C9H9NO5 > 211.1715 > 211.048072403 > 5 > 24 > -0.12448624636712877 > 19.332677216449557 > 1 > 2 > 0 > 1 > (2R)-2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one > 0.13 > -0.054588736666666964 > -0.93 > 0 > 0 > 2 > 0 > 10.798586639240538 > 7.847779965290949 > -4.649065621954125 > 79.23 > 48.47050000000001 > 1 > 1 > 2.46e+01 g/l > tetrahydrofolic acid > 0 $$$$