Mrv1652309122216222D 19 21 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 1 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 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -0.0000 0.0000 C 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 1 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 1 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 2 19 1 0 0 0 0 14 19 1 1 0 0 0 M END > NP0329725 > NP-MRD > O[C@@H]1C[C@H]2N(C1)C(=O)[C@@H](CC1=CC=CC=C1)N=C2O > InChI=1S/C14H16N2O3/c17-10-7-12-13(18)15-11(14(19)16(12)8-10)6-9-4-2-1-3-5-9/h1-5,10-12,17H,6-8H2,(H,15,18)/t10-,11-,12-/m1/s1 > PYQJYHACQOBZLF-IJLUTSLNSA-N > C14H16N2O3 > 260.293 > 260.116092383 > 4 > 35 > 26.68686048554739 > 1 > 2 > 0 > 1 > (3R,7R,8aR)-3-benzyl-1,7-dihydroxy-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > 0.527860464666666 > 0 > 3 > 0 > 14.826143415609163 > 4.517722100936974 > 1.1676293371920723 > 73.13 > 68.7425 > 2 > 1 > (3R,7R,8aR)-3-benzyl-1,7-dihydroxy-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > 0 > NP0329725 > (3r,7r,8ar)-3-benzyl-1,7-dihydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one $$$$