LMPK15020006
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    6.3590   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0910   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0910   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3590   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -3.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929   -4.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -7.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8231   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6891   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5551   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4211   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2872   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1532   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0192   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8853   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7513   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6173   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4833   -5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3494   -4.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2154   -5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3493   -3.9249    0.0000 O   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
  2  7  1  0     0  0
  1  8  1  0     0  0
  5  9  1  0     0  0
  3 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
 22 24  1  0     0  0
M  END
> <LM_ID>
LMPK15020006

> <COMMON_NAME>
6-(13-hydroxytetradecyl)benzene-1,2,4-triol

> <SYSTEMATIC_NAME>
14-(2',3',5'-Trihydroxyphenyl)tetradecan-2-ol

> <FORMULA>
C20H34O4

> <MASS>
338.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl catechols and derivatives [PK1502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AAMYMLZZYOONFN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H34O4/c1-16(21)12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(22)15-19(23)20(17)24/h14-16,21-24H,2-13H2,1H3

> <SMILES>
C1(O)=CC(O)=CC(CCCCCCCCCCCCC(O)C)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11724721

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40412

> <CITATION>
11776443

$$$$