KEGG:C02235 4-Nitrocatechol ISISHOST03240423062D 1 1.00000 0.00000 2022 11 11 0 0 0 999 V2000 -0.1207 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0.5345 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7724 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1241 -1.2069 0.0000 N 0 3 0 0 0 0 0 0 0 0.5345 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7724 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0.6552 -1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8724 -1.7310 0.0000 O 0 5 0 0 0 0 0 0 0 -0.1207 1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 1.1828 1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1241 1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 6 9 2 0 0 0 M CHG 2 4 1 8 -1 M END