LMPK15030005
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   -0.9528    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -1.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920    1.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3355    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2168    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8606    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7419    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6232    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5044    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3857    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1483    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0295    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9108    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7921    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6581    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5241    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3902    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2562    1.4066    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
 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>
LMPK15030005

> <COMMON_NAME>
5-n-heneicosylresorcinol

> <SYSTEMATIC_NAME>
5-heneicosylbenzene-1,3-diol

> <FORMULA>
C27H48O2

> <MASS>
404.37

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BLHLKJLSYHEOGY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031035

> <CHEBI_ID>
166655

> <ABBREVIATION>
-

> <CAYMAN_ID>
30031

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155461

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$