LMFA01020356
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   18.6120    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3229    5.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6120    7.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8959    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4630    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7466    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0301    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3137    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5973    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8809    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1644    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315    5.8208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0151    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8658    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1494    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4329    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    6.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020356

> <COMMON_NAME>
20:0(12Me)

> <SYSTEMATIC_NAME>
12-methyl-eicosanoic acid

> <FORMULA>
C21H42O2

> <MASS>
326.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVVZDRRHSOSMPH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H42O2/c1-3-4-5-6-11-14-17-20(2)18-15-12-9-7-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)

> <SMILES>
C(CCCCCCCCCCC(C)CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15736271

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
666329

> <CITATION>
12798940

$$$$