LMFA07010671
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   20.8615    9.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8615    8.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6582    8.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9923    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1232    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2539    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3846    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5154    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6461    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7771    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9077    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0386    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1692    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7891    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6582    6.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5315    6.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3001    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4268    8.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5536    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6803    8.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9336    8.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    8.7668    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 15  1  0  0  0  0
  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  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>
LMFA07010671

> <COMMON_NAME>
SFE 2:0(1Me)/18:1(9Z)

> <SYSTEMATIC_NAME>
Isopropyl 9Z-octadecenoate

> <FORMULA>
C21H40O2

> <MASS>
324.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0(1Me)/18:1(9Z))

> <INCHI_KEY>
PZQSQRCNMZGWFT-QXMHVHEDSA-N

> <INCHI>
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11-

> <SMILES>
O=C(CCCCCCC/C=C\CCCCCCCC)OC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 21:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5356108

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
473951

> <CITATION>
-

$$$$