LMPK15030045
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   -0.9540    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783   -0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633   -1.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942    1.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4587    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9883    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7534    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5181    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4006    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2830    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1654    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0478    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9133    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7810    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9100   -0.0951    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
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
M  END
> <LM_ID>
LMPK15030045

> <COMMON_NAME>
Adipostatin I

> <SYSTEMATIC_NAME>
5-(16-methyl)heptdecylbenzene-1,3-diol

> <FORMULA>
C24H42O2

> <MASS>
362.32

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-n-(16-methyl)heptadecylresorcinol

> <INCHI_KEY>
IHCHQNXMAUHXID-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H42O2/c1-21(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-18-23(25)20-24(26)19-22/h18-21,25-26H,3-17H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1774111

> <CITATION>
32863451

$$$$