Mrv1652309042203382D 14 15 0 0 1 0 999 V2000 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0185993 > NP-MRD > C[C@H](O)[C@@H]1NC(=O)C2=CC=CN2C1=O > InChI=1S/C9H10N2O3/c1-5(12)7-9(14)11-4-2-3-6(11)8(13)10-7/h2-5,7,12H,1H3,(H,10,13)/t5-,7-/m0/s1 > XUJFYVBSGKFTJR-FSPLSTOPSA-N > C9H10N2O3 > 194.19 > 194.06914219 > 3 > 24 > 18.538412080297654 > 1 > 2 > 0 > 0 > (3S)-3-(1-hydroxyethyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1,4-dione > -0.9929851553333336 > 0 > 2 > 0 > 13.715091818008265 > 11.364372731513082 > -2.5129440256021205 > 71.33 > 47.837 > 1 > 1 > (3S)-3-(1-hydroxyethyl)-2H,3H-pyrrolo[1,2-a]pyrazine-1,4-dione > 0 > NP0185993 > (3s)-3-[(1s)-1-hydroxyethyl]-2h,3h-pyrrolo[1,2-a]pyrazine-1,4-dione $$$$