LMPK15030043
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.9562    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9562   -0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -0.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -1.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    1.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8889    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7734    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5422    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -0.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2943    1.4094    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
 10 21  1  1     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMPK15030043

> <COMMON_NAME>
5-(2R-hydroxy-tridecyl)resorcinol

> <SYSTEMATIC_NAME>
5-(2R-hydroxy-tridecyl)-benzene-1-3-diol

> <FORMULA>
C19H32O3

> <MASS>
308.24

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YXRFSHKHPSTTQE-QGZVFWFLSA-N

> <INCHI>
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-10-11-17(20)12-16-13-18(21)15-19(22)14-16/h13-15,17,20-22H,2-12H2,1H3/t17-/m1/s1

> <SMILES>
C1(O)C=C(C[C@H](O)CCCCCCCCCCC)C=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102163924

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1073920

> <CITATION>
19833361

$$$$