LMPK13090052
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0     0  0            999 V2000
    2.9751   -2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -2.0001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -4.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -5.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7072   -4.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572   -4.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233   -4.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893   -4.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893   -5.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233   -6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5573   -5.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233   -3.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554   -4.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554   -6.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233   -7.0252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6912   -6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8251   -5.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6912   -7.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554   -7.0252    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
  1  7  1  0     0  0
  6  8  1  0     0  0
  5  9  1  0     0  0
  4 10  1  0     0  0
  3 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 12  2  0     0  0
 13 18  1  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 16 21  1  0     0  0
 17 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 20 26  1  0     0  0
M  END
> <LM_ID>
LMPK13090052

> <COMMON_NAME>
Aspergillusether J

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H19O4Cl3

> <MASS>
416.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYLUUXUNILCPEX-SOFGYWHQSA-N

> <INCHI>
InChI=1S/C19H19Cl3O4/c1-6-8(2)12-15(22)18(25-5)10(4)16(23)19(12)26-11-7-9(3)13(20)17(24)14(11)21/h6-7,23-24H,1-5H3/b8-6+

> <SMILES>
C1(C)=C(Cl)C(O)=C(Cl)C(OC2=C(/C(/C)=C/C)C(Cl)=C(OC)C(C)=C2O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170990776

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40381

> <CITATION>
-

$$$$