LMPK13080017
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    5.4980   -3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637   -4.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980   -5.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -4.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1291   -3.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568   -4.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1229   -5.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521   -5.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1466   -3.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5530   -4.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153   -5.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6812   -6.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6849   -6.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666   -5.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236   -2.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874   -3.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1120   -5.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2506   -7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8132   -7.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8192   -8.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980   -2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
 11  2  1  0     0  0
  7 11  1  0     0  0
 10  3  1  0     0  0
  9 10  1  0     0  0
  8  9  1  0     0  0
  7  8  1  0     0  0
  8 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15  9  2  0     0  0
  5 16  1  0     0  0
 11 17  2  0     0  0
 12 18  1  0     0  0
 13 19  1  0     0  0
 15 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
  1 24  1  0     0  0
M  END
> <LM_ID>
LMPK13080017

> <COMMON_NAME>
Unguinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H18O5

> <MASS>
326.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Depsides and depsidones [PK1308]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZPPIKBUIYSSQEH-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C19H18O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h5-8,20-21H,1-4H3/b9-5+

> <SMILES>
C1(C)=CC(O)=CC2OC3=C(/C(/C)=C/C)C=C(O)C(C)=C3OC(=O)C1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14131420

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40381

> <CITATION>
-

$$$$