28360827 -OEChem-10051721593D 18 19 0 0 0 0 0 0 0999 V2000 -0.8485 -1.6897 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 1.4241 -0.0522 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5242 -0.1713 -0.2967 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0209 -0.9289 0.0451 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 1.1448 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 1.5876 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -1.3255 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 0.4566 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -0.8456 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 0.3478 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 1.8745 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 0.9797 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -0.4251 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 -0.0376 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 1.9466 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 2.4239 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -1.6815 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -2.1020 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M CHG 2 2 -1 3 1 M END > DB06554 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZXRVKCBLGJOCEE-UHFFFAOYSA-N/SDF?record_type=3d > O=C1NOC2=C1CCNC2 > InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9) > ZXRVKCBLGJOCEE-UHFFFAOYSA-N > C6H8N2O2 > 140.1399 > 140.05857751 > 3 > 18 > -0.0008828026868027417 > 13.30767448699431 > 1 > 2 > 0 > 0 > 2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one > -1.31 > -2.041288802912219 > -0.93 > 0 > 0 > 2 > 0 > 5.117348788821575 > 8.85388580553176 > 50.36 > 35.4973 > 0 > 1 > 1.66e+01 g/l > biotin > 0 $$$$