LMPK15050004
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   -0.9554    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -1.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    1.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3474    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2311    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1148    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7659    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6496    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5332    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4169    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -0.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2838    1.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784    2.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5785    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -0.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -0.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383   -1.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1537    0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0205    1.4139    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
 19 20  1  0     0  0
 10 21  1  1     0  0
 20 22  1  0     0  0
  6 23  2  0     0  0
  9 24  1  0     0  0
 21 25  1  0     0  0
 25 26  2  0     0  0
 25 27  1  0     0  0
 22 28  1  0     0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMPK15050004

> <COMMON_NAME>
5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone

> <SYSTEMATIC_NAME>
5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone

> <FORMULA>
C24H38O5

> <MASS>
406.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl hydroquinones and derivatives [PK1505]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CVZNKLNAHBTINT-JOCHJYFZSA-N

> <INCHI>
InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3/t22-/m1/s1

> <SMILES>
C1(OC)C(=O)C(C[C@H](OC(C)=O)CCCCCCCCCCCCC)=CC(=O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46190943

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1073920

> <CITATION>
19833361

$$$$