LMPK13080018
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    5.4979   -3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636   -4.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   -5.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   -4.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1290   -3.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5567   -4.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1228   -5.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520   -5.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1465   -3.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5529   -4.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152   -5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6811   -6.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6848   -6.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666   -5.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9235   -2.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9873   -3.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1119   -5.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   -7.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535   -7.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8131   -7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8191   -8.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   -2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   -3.4236    0.0000 Cl  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
  6 25  1  0     0  0
M  END
> <LM_ID>
LMPK13080018

> <COMMON_NAME>
2-chlorounguinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H17O5Cl

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Depsides and depsidones [PK1308]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KZPINWADEGOBQG-VMPITWQZSA-N

> <INCHI>
InChI=1S/C19H17ClO5/c1-5-8(2)11-6-12(21)9(3)17-18(11)24-14-7-13(22)16(20)10(4)15(14)19(23)25-17/h5-7,21-22H,1-4H3/b8-5+

> <SMILES>
C1(C)=C(Cl)C(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>
5387596

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40381

> <CITATION>
-

$$$$