LMFA01040036
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   12.9887    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4530    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3190    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1852    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0512    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9173    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7834    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6494    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7834    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.5606    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
   13.8547    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3547    8.4266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547    9.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3547   10.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8549    9.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5154    6.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3547   10.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  3 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 11 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040036

> <COMMON_NAME>
methyl 9-butylperoxy-10,12-octadecadienoate

> <SYSTEMATIC_NAME>
methyl 9-butylperoxy-10,12-octadecadienoate

> <FORMULA>
C23H42O4

> <MASS>
382.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XVZNKFOXXKMPCH-IZAPIVEJSA-N

> <INCHI>
InChI=1S/C23H42O4/c1-6-7-8-9-10-12-15-18-21(26-27-23(2,3)4)19-16-13-11-14-17-20-22(24)25-5/h10,12,15,18,21H,6-9,11,13-14,16-17,19-20H2,1-5H3/b12-10+,18-15+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188080

> <ABBREVIATION>
FA 23:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282871

> <LIPIDBANK_ID>
DFA8048

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$