LMPK13090001
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0     0  0            999 V2000
    6.0606   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9889    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    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  2  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
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
> <LM_ID>
LMPK13090001

> <COMMON_NAME>
Pinosylvin

> <SYSTEMATIC_NAME>


> <FORMULA>
C14H12O2

> <MASS>
212.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YCVPRTHEGLPYPB-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+

> <SMILES>
C1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1

> <KEGG_ID>
C01745

> <HMDB_ID>
-

> <CHEBI_ID>
17323

> <ABBREVIATION>
-

> <CAYMAN_ID>
27612

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3349

> <CITATION>
15752644

$$$$