LMFA01020441
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   18.2250   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4929   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6269   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7609   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8949   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0288   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1628   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6269   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4308   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4308   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5647   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9666   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5647   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -5.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  2 10  2  0     0  0
  4 11  1  0     0  0
  9 12  1  0     0  0
  9 13  1  0     0  0
 12 14  2  0     0  0
 12 15  1  0     0  0
 16 15  1  1     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 16  1  0     0  0
 20 22  1  1     0  0
 21 23  1  6     0  0
 19 24  1  6     0  0
 18 25  1  6     0  0
 17 26  1  6     0  0
M  END
> <LM_ID>
LMFA01020441

> <COMMON_NAME>
(2E,4E)-8-(6-O-inositolyl)-8-oxo-2,7-dimethyl-octadienoic acid

> <SYSTEMATIC_NAME>
(2E,4E)-8-(6-O-inositolyl)-8-oxo-2,7-dimethyl-octadienoic acid

> <FORMULA>
C17H26O9

> <MASS>
374.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AZVLQOXQFUJQAI-FTMGRIDQSA-N

> <INCHI>
InChI=1S/C17H26O9/c1-8(7-10(18)19)5-3-4-6-9(2)17(25)26-16-14(23)12(21)11(20)13(22)15(16)24/h3-5,9,11-16,20-24H,6-7H2,1-2H3,(H,18,19)/b4-3+,8-5+/t9?,11-,12-,13-,14+,15-,16-/m1/s1

> <SMILES>
OC(=O)C/C(/C)=C/C=C/CC(C)C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118709

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2689076

> <CITATION>
32820957

$$$$