LMPK13070011
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    6.9000   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4981   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6320   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2301   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0961   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8282   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6942   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4264   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3924   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2012   -2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0622   -2.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9332   -2.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7942   -2.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6652   -2.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5261   -2.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3971   -2.2208    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
  5  8  1  0     0  0
  3  9  1  0     0  0
  9 10  1  0     0  0
  2 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMPK13070011

> <COMMON_NAME>
Oblatone E

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H40O4

> <MASS>
404.29

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenylmethanes, acylphloroglucinols and benzophenones [PK1307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQBSCZDULDOJMO-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)25-23(28)19-21(26)20-24(25)29-2/h9-10,19-20,26,28H,3-8,11-18H2,1-2H3/b10-9-

> <SMILES>
C1(O)=CC(O)=CC(OC)=C1C(=O)CCCCCCCC/C=C\CCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120734

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1489816

> <CITATION>
33887558

$$$$