LMPK13090057
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
    2.9751   -2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -4.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -3.5002    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   -4.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073   -4.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5573   -4.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234   -4.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2894   -4.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2894   -5.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234   -6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5574   -5.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234   -3.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1555   -4.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1555   -6.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913   -6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8252   -5.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913   -7.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234   -7.0253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2431   -2.0001    0.0000 Cl  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
  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
  5  8  1  0     0  0
  3  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 10  2  0     0  0
 11 16  1  0     0  0
 12 17  1  0     0  0
 13 18  1  0     0  0
 15 19  1  0     0  0
 19 20  2  0     0  0
 19 21  1  0     0  0
 20 22  1  0     0  0
 14 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
M  END
> <LM_ID>
LMPK13090057

> <COMMON_NAME>
Aspergillusether F

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H17O4Cl3

> <MASS>
402.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UDSNHAFRPXZJPI-FNORWQNLSA-N

> <INCHI>
InChI=1S/C18H17Cl3O4/c1-5-7(2)11-14(21)15(22)9(4)16(23)18(11)25-10-6-8(3)12(19)17(24)13(10)20/h5-6,22-24H,1-4H3/b7-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170988487

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40381

> <CITATION>
-

$$$$