LMFA01040075
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4373   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4373   -0.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373    0.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0817   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7264   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6080   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4895   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3712   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2527   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1343   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0158   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8974   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7790   -0.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6606   -0.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4895   -1.7676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3556   -2.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 11 19  1  6     0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA01040075

> <COMMON_NAME>
9S-HpHtrE

> <SYSTEMATIC_NAME>
9S-hydroperoxy-6Z,10E,12Z-hexadecatrienoic acid

> <FORMULA>
C16H26O4

> <MASS>
282.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AUZJQVBAOHTWPL-FJQSMFNXSA-N

> <INCHI>
InChI=1S/C16H26O4/c1-2-3-4-6-9-12-15(20-19)13-10-7-5-8-11-14-16(17)18/h4,6-7,9-10,12,15,19H,2-3,5,8,11,13-14H2,1H3,(H,17,18)/b6-4-,10-7-,12-9+/t15-/m1/s1

> <SMILES>
C(CCCC/C=C\C[C@H](OO)/C=C/C=C\CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119172

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
267567

> <CITATION>
17886321

$$$$