Mrv0541 02241215112D 10 9 0 0 0 0 999 V2000 -1.0300 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 -0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 1.4443 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0314 0.1796 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 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 7 9 1 0 0 0 0 M CHG 2 9 -1 10 1 M END > FDB011419 > foodb > [NH4+].[O-]C(=O)C1=CC=CC=C1 > InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3 > VWSRWGFGAAKTQG-UHFFFAOYSA-N > C7H9NO2 > 139.1519 > 139.063328537 > 2 > 11.523787293018447 > 1 > 0 > 0 > 0 > ammonium benzoate > 1.12 > 1.630828724 > -1.05 > 0 > 1 > -1 > 4.07523327743486 > 40.129999999999995 > 44.151300000000006 > 1 > 1 > 1.24e+01 g/l > ammonium benzoate > 0 > FDB011419 > Ammonium benzoate $$$$