LMPK13090006
  LIPID_MAPS_STRUCTURE_DATABASE

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.2689    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    5.2475    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
  6 16  1  0  0  0  0
  2 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK13090006

> <COMMON_NAME>
Piceatannol

> <SYSTEMATIC_NAME>


> <FORMULA>
C14H12O4

> <MASS>
244.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,3',4'5-tetrahydroxystilbene

> <INCHI_KEY>
CDRPUGZCRXZLFL-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+

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

> <KEGG_ID>
C05901

> <HMDB_ID>
HMDB0004215

> <CHEBI_ID>
28814

> <ABBREVIATION>
-

> <CAYMAN_ID>
10009366

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
667639

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$