244 Mrv0541 02231214322D 11 11 0 0 0 0 999 V2000 2.0930 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 M END > DBMET00402 > drugbank > NC1=CC(C(O)=O)=C(O)C=C1 > InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) > KBOPZPXVLCULAV-UHFFFAOYSA-N > C7H7NO3 > 153.1354 > 153.042593095 > 4 > 18 > -0.9309883316743242 > 14.263819873112737 > 1 > 3 > 0 > 0 > 5-amino-2-hydroxybenzoic acid > 0.75 > -0.28978240563320434 > -1.10 > 0 > -1 > 1 > -1 > 15.475226170274771 > 2.024188346479524 > 5.871587939823654 > 83.55 > 39.9955 > 1 > 1 > 1.22e+01 g/l > biotin > 0 > DBMET00402 > 5-aminosalicylic acid $$$$