LMPK13010002
  LIPID_MAPS_STRUCTURE_DATABASE

 11 11  0     0  0            999 V2000
    7.7866    8.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9213    7.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6566    7.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7822    9.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9213    6.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6566    6.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5173    8.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    9.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    9.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7866    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  5 11  2  0     0  0
  7 11  1  0     0  0
M  END
> <LM_ID>
LMPK13010002

> <COMMON_NAME>
6-Methylsalicylic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C8H8O3

> <MASS>
152.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Monocyclic aromatic polyketides [PK1301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HCJMNOSIAGSZBM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)

> <SMILES>
C1(C(=O)O)C(O)=CC=CC=1C

> <KEGG_ID>
C02657

> <HMDB_ID>
-

> <CHEBI_ID>
17637

> <ABBREVIATION>
-

> <CAYMAN_ID>
19199

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11279

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$