Mrv2104 06072104352D 11 11 0 0 0 0 999 V2000 3.2347 -3.9536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -3.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 -1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -3.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 -3.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -3.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 -4.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > PHUB001980 > phytohub > NC1=C(C=C(O)C=C1)C(O)=O > InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11) > HYNQTSZBTIOFKH-UHFFFAOYSA-N > C7H7NO3 > 153.137 > 153.042593089 > 4 > 18 > -0.9896978695318558 > 14.25522428935478 > 1 > 3 > 0 > 0 > 2-amino-5-hydroxybenzoic acid > 0.70 > 0.33898129068355626 > -1.11 > 0 > -1 > 1 > -1 > 10.411831219378813 > 2.1939406256600127 > 5.342488460159981 > 83.55000000000001 > 39.9955 > 1 > 1 > 1.19e+01 g/l > 5-hydroxyanthranilic acid > 0 $$$$