LMPK15050007
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.9572    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0635   -1.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6999    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0118    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8973    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7827    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6681    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5533    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785    2.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -0.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722    2.3621    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  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  3  7  2  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
  6 20  2  0     0  0
  4 21  1  0     0  0
  9 22  1  0     0  0
M  END
> <LM_ID>
LMPK15050007

> <COMMON_NAME>
5-O-Methylembelin

> <SYSTEMATIC_NAME>
2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone

> <FORMULA>
C18H28O4

> <MASS>
308.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl hydroquinones and derivatives [PK1505]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KHBJLRRAMCJZLZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3

> <SMILES>
C1(OC)C(=O)C(CCCCCCCCCCC)=C(O)C(=O)C=1

> <KEGG_ID>
C10373

> <HMDB_ID>
-

> <CHEBI_ID>
65842

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171489

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2595069

> <CITATION>
11054840

$$$$