LMFA01170131
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   11.6523    6.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4087    6.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6523    7.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    6.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1277    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    6.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6028    6.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    6.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0778    6.5630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1277    7.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0778    7.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154    6.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170131

> <COMMON_NAME>
Callosobruchusic acid

> <SYSTEMATIC_NAME>
3,7-Dimethyl-2E-octene-1,8-dioic acid 

> <FORMULA>
C10H16O4

> <MASS>
200.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2E)‑3,7‑di­methyloct-2‑ene­dioic acid

> <INCHI_KEY>
VNSKHKIHRLWODC-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/b7-6+

> <SMILES>
C(/C=C(\C)/CCCC(C)C(O)=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180335

> <ABBREVIATION>
FA 10:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11745660

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
146774

> <CITATION>
-

$$$$