LMFA07010453
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   14.7479    8.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7479    8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5465    7.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5465    6.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7727    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9021    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0308    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1595    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2883    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4170    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8767    7.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0053    8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341    7.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2628    8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915    7.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5203    8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490    7.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7777    8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  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
  2 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
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010453

> <COMMON_NAME>
WE 12:0/9:0

> <SYSTEMATIC_NAME>
Dodecyl nonanoate

> <FORMULA>
C21H42O2

> <MASS>
326.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(12:0/9:0)

> <INCHI_KEY>
PAKQQTBKJHSYEY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H42O2/c1-3-5-7-9-11-12-13-14-16-18-20-23-21(22)19-17-15-10-8-6-4-2/h3-20H2,1-2H3

> <SMILES>
O=C(CCCCCCCC)OCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 21:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87220

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
613365

> <CITATION>
-

$$$$