LMFA01040057
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
   12.5512    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6857    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4164    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2817    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1471    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0124    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8776    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7430    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6083    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4736    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3389    7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7912    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    6.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    6.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    8.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    8.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2040    7.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3389    8.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0691    7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1852    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4164    8.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2816    9.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9259    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  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
 10 11  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  2  0  0  0  0
 17 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 22 23  1  0  0  0  0
  1 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 15  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040057

> <COMMON_NAME>
methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate

> <SYSTEMATIC_NAME>
methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate

> <FORMULA>
C19H32O8

> <MASS>
388.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LWTWZXHNYOALAJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3

> <SMILES>
C1(OOC(C2C=CC(CC)OO2)C1)C(OO)CCCCCCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187238

> <ABBREVIATION>
FA 19:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282892

> <LIPIDBANK_ID>
DFA8076

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]; Octadecanoids [FA02]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$