LMPK13090038
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    6.9267    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  2 15  1  0  0  0  0
 12 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <LM_ID>
LMPK13090038

> <COMMON_NAME>
Lunularic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O4

> <MASS>
258.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GFSQDOUEUWXRSL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H14O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-3,5-6,8-9,16-17H,4,7H2,(H,18,19)

> <SMILES>
C1=CC=C(CCC2=CC=C(O)C=C2)C(C(=O)O)=C1O

> <KEGG_ID>
C10268

> <HMDB_ID>
-

> <CHEBI_ID>
6567

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
161413

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
56931

> <CITATION>
24493279

$$$$