LMFA01040058
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
   10.3864    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5210    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4205    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9200    6.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9191    6.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4186    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9191    8.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9200    8.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6559    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215    6.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0204    6.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7909    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9257    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7909    8.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6559    9.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2837    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1489    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0140    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8792    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7443    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6093    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4746    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3398    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3398    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2048    7.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0699    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  8  3  1  0  0  0  0
  2  9  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  9 10  1  0  0  0  0
  3  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  6  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
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040058

> <COMMON_NAME>
methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate

> <SYSTEMATIC_NAME>
methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-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>
QAMDHRQSVQULEB-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185737

> <ABBREVIATION>
FA 19:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282893

> <LIPIDBANK_ID>
DFA8077

> <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>
-

$$$$