LMPK15030047
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
   -0.9547    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9938    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8771    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7603    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6433    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4094    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2925    1.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1757    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4095   -0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2925    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  1  9  1  0     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 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  1  0     0  0
 20 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK15030047

> <COMMON_NAME>
Adipostatin F

> <SYSTEMATIC_NAME>
5-(12,13-dimethyl)tetradecylbenzene-1,3-diol

> <FORMULA>
C22H38O2

> <MASS>
334.29

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-n-(12,13-dimethyl)tetradecylresorcinol

> <INCHI_KEY>
NJJOOVPKRPTPEL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H38O2/c1-18(2)19(3)13-11-9-7-5-4-6-8-10-12-14-20-15-21(23)17-22(24)16-20/h15-19,23-24H,4-14H2,1-3H3

> <SMILES>
C1(O)C=C(CCCCCCCCCCCC(C)C(C)C)C=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119184

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1774111

> <CITATION>
32863451

$$$$