2331 -OEChem-01041012412D 16 16 0 0 0 0 0 0 0999 V2000 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > 1 > 2331 > 1 > 106 > 1 > 1 > 1 > AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADACBmAAwAIBAAACIAiFSEACCAAAkAAAIiAEABMgIIDKAlRGAIQBggAAIiYcYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > benzamide > benzamide > benzamide > benzamide > benzamide > InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) > KXDAEFPNCMNJSK-UHFFFAOYSA-N > 0.6 > 121.052764 > C7H7NO > 121.13658 > C1=CC=C(C=C1)C(=O)N > C1=CC=C(C=C1)C(=O)N > 43.1 > 121.052764 > 0 > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 12003 > 6 > KEGG > C09815 > CAS: 55-21-0 ChEBI: 28179 3DMET: B01116 Is a reactant or product of enzyme EC 3.5.1.4 Is a reactant or product of enzyme EC 4.2.1.84 > 55-21-0 Benzamide C09815 > 55-21-0 > C09815 > http://www.genome.jp/kegg/ > http://www.genome.jp/dbget-bin/www_bget?cpd+C09815 > 2331 1 > 1 5 255 > 3 4 8 3 5 8 4 6 8 5 7 8 6 8 8 7 8 8 $$$$