Mrv1652309072217292D 21 22 0 0 0 0 999 V2000 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 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 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > NP0252095 > NP-MRD > CC(O)C(C)C1N=C(O)C(CC2=CC=CC=C2)N(C)C1=O > InChI=1S/C16H22N2O3/c1-10(11(2)19)14-16(21)18(3)13(15(20)17-14)9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19H,9H2,1-3H3,(H,17,20) > INKLEHBIDANLJD-UHFFFAOYSA-N > C16H22N2O3 > 290.363 > 290.163042576 > 4 > 43 > 31.263738034977624 > 1 > 2 > 0 > 1 > 6-benzyl-5-hydroxy-3-(3-hydroxybutan-2-yl)-1-methyl-1,2,3,6-tetrahydropyrazin-2-one > 1.5355169219999993 > 0 > 2 > 0 > 15.229171315371591 > 4.68426610631499 > 1.353467005989574 > 73.13000000000001 > 79.87650000000002 > 4 > 1 > 6-benzyl-5-hydroxy-3-(3-hydroxybutan-2-yl)-1-methyl-3,6-dihydropyrazin-2-one > 0 > NP0252095 > 6-benzyl-5-hydroxy-3-(3-hydroxybutan-2-yl)-1-methyl-3,6-dihydropyrazin-2-one $$$$