Mrv1652309112215002D 14 15 0 0 1 0 999 V2000 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 9 14 1 6 0 0 0 M END > NP0314744 > NP-MRD > OC[C@@H]1N=C(O)[C@@H]2C[C@@H](O)CN2C1=O > InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1 > FUYZNZHRVJWTLT-SRQIZXRXSA-N > C8H12N2O4 > 200.194 > 200.079706874 > 5 > 26 > 18.72887549046549 > 1 > 3 > 0 > 0 > (3S,7R,8aS)-1,7-dihydroxy-3-(hydroxymethyl)-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > -2.175375869666667 > 0 > 2 > 0 > 14.49696968344735 > 4.254082138959799 > 0.21458657419011573 > 93.36 > 45.6672 > 1 > 1 > (3S,7R,8aS)-1,7-dihydroxy-3-(hydroxymethyl)-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > 0 > NP0314744 > (3s,7r,8as)-1,7-dihydroxy-3-(hydroxymethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one $$$$