86
  -OEChem-12200711412D

 18 18  0     0  0  0  0  0  0999 V2000
    6.8671    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
86

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
160

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADAyBmAAwzoBAAgCIAiTSSACCAAAkIAAIiAEHTMgKJjqSlZOAcYBmwBEI2cfayDCOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-3-hydroxy-benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-3-hydroxybenzoic acid

> <PUBCHEM_IUPAC_NAME>
2-amino-3-hydroxybenzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-amino-3-hydroxy-benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-3-hydroxy-benzoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)/f/h10H

> <PUBCHEM_CACTVS_XLOGP>
1.3

> <PUBCHEM_EXACT_MASS>
153.042593

> <PUBCHEM_MOLECULAR_FORMULA>
C7H7NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
153.13538

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)O)N)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)O)N)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
83.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
153.042593

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
10

> <PUBCHEM_SUBSTANCE_ID>
3905

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00632

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.10.3.5
Is a reactant or product of enzyme EC 1.11.1.6
Is a reactant or product of enzyme EC 1.13.11.6
Is a reactant or product of enzyme EC 1.14.16.3
Is a reactant or product of enzyme EC 2.1.1.97
Is a reactant or product of enzyme EC 2.1.1.-
Is a reactant or product of enzyme EC 3.7.1.3

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
548-93-6
C00632

> <PUBCHEM_GENERIC_REGISTRY_NAME>
548-93-6

> <PUBCHEM_XREF_EXT_ID>
C00632

> <PUBCHEM_GENBANK_PROTEIN_ID>
230963
231250
231293
231294
1942536
1942897
2554851
2554852
2554853
2554854
3891768
3891769
3891770
3891771
4929983
4929984
4929985
4929986
4930103
4930104
4930105
4930106
5542444
5542445
5542446
5542447
5821770
5821771
5821772
5821773
7245752
7245753
7245754
7245755
7245756
7245757
7245758
7245759
7245798
7245799
7245800
7245801
7245802
7245803
7245804
7245805
9257059
9257060
9257061
9257062
10120675
10120676
10120677
10120678
10120679
10120680
10120681
10120682
10120683
10120684
10120685
10120686
10120687
10120688
10120689
10120690
10120691
10120692
10120693
10120694
10120695
10120696
10120697
10120698
14488736
16975460
20149992
20663748
20663751
22218841
22218842
22218843
22218844
22218845
22218846
22218847
22218848
22218849
22218850
22218851
22218852
23200140
23200141
23200475
23200476
23200477
23200478
23200479
24159121
29726524
29726525
34809671
34809672
34809673
34809674
34809675
34809676
34809677
34809678
34809683
34809684
34809685
34809686
37926414
38492942
38492943
38492944
38492945
40889167
40889168
40889169
40889170
40889171
40889172
42543076
42543461
46014885
47168650
47168651
47168652
47168653
47169226
48425690
48425691
48425692
48425693
51247359
51247360
55670139
55670140
55670141
55670142
55670143
55670144
55670145
55670146
55670147
55670148
55670149
56553786
56553787
58177257
58177258
66360761
66360762
66360763
66360764
66360765
66360766
66360767
66360768
66360769
66360770
66360771
66360772
66360773
66360774
66360775
66360776
67463723
67463724
67463725
67463726
71041561
71041562
71041563
71041564
71041569
71041570
71041571
71041572
71041573
71041574
71041575
71041576
71041577
71041578
71041579
71041580
85544434
85544435
88192668
88192669
93278763
93278764
93278765
93278766
93278767
93278768
93278769
93278770
109157069
109157070
110590799
110590800
112491409
112491410

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00632

> <PUBCHEM_CID_ASSOCIATIONS>
86  1

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$