LMPK15030062
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
  -14.5427   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5427   -1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4091   -2.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2755   -1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2754   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4091   -0.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1418   -0.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4091   -3.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7138   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8395   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9647   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0900   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2152   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3405   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4657   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5910   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7162   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8415   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9668   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0920   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2173   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4678   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817   -0.8017    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
  5  7  1  0     0  0
  3  8  1  0     0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <LM_ID>
LMPK15030062

> <COMMON_NAME>
5-(heptadeca-9E,11Z,16-trienyl)resorcinol

> <SYSTEMATIC_NAME>
5-(heptadeca-9E,11Z,16-trienyl)benzene-1,3-diol

> <FORMULA>
C23H34O2

> <MASS>
342.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-heptadeca-9'E,11'Z,16-trienylresorcinol

> <INCHI_KEY>
CRWZHBSCOWOZJQ-NMMTYZSQSA-N

> <INCHI>
InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h2,6-9,18-20,24-25H,1,3-5,10-17H2/b7-6-,9-8+

> <SMILES>
C1(CCCCCCCC/C=C/C=C\CCCC=C)=CC(O)=CC(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11695842

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1045806

> <CITATION>
16643059

$$$$