KEGG:C03995 4-Nitrophenyl-3-ketovalidamine ISISHOST10130423112D 1 1.00000 0.00000 3465 21 22 0 1 0 999 V2000 2.2751 -10.8833 0.0000 C 0 0 2 0 0 0 0 0 0 2.2751 -11.7125 0.0000 C 0 0 2 0 0 0 0 0 0 2.9954 -12.1291 0.0000 C 0 0 0 0 0 0 0 0 0 3.7116 -11.7125 0.0000 C 0 0 1 0 0 0 0 0 0 3.7116 -10.8833 0.0000 C 0 0 1 0 0 0 0 0 0 2.9954 -10.4708 0.0000 C 0 0 0 0 0 0 0 0 0 4.4305 -12.1286 0.0000 N 0 0 0 0 0 0 0 0 0 5.1459 -12.5375 0.0000 C 0 0 0 0 0 0 0 0 0 5.1474 -13.3620 0.0000 C 0 0 0 0 0 0 0 0 0 5.8628 -13.7750 0.0000 C 0 0 0 0 0 0 0 0 0 6.5766 -13.3594 0.0000 C 0 0 0 0 0 0 0 0 0 6.5751 -12.5349 0.0000 C 0 0 0 0 0 0 0 0 0 5.8597 -12.1260 0.0000 C 0 0 0 0 0 0 0 0 0 7.2960 -13.7747 0.0000 N 0 3 0 0 0 0 0 0 0 8.0084 -13.3500 0.0000 O 0 5 0 0 0 0 0 0 0 7.2917 -14.6000 0.0000 O 0 0 0 0 0 0 0 0 0 4.4305 -10.4713 0.0000 O 0 0 0 0 0 0 0 0 0 2.9965 -9.6416 0.0000 O 0 0 0 0 0 0 0 0 0 1.5608 -10.4704 0.0000 O 0 0 0 0 0 0 0 0 0 1.5604 -12.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0.8461 -11.7120 0.0000 O 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 8 2 0 0 0 11 14 1 0 0 0 4 7 1 1 0 0 14 15 1 0 0 0 1 2 1 0 0 0 14 16 2 0 0 0 7 8 1 0 0 0 5 17 1 1 0 0 2 3 1 0 0 0 6 18 2 0 0 0 3 4 1 0 0 0 1 19 1 1 0 0 4 5 1 0 0 0 5 6 1 0 0 0 2 20 1 6 0 0 6 1 1 0 0 0 20 21 1 0 0 0 M CHG 2 14 1 15 -1 M END