LMFA01020129
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020129

> <COMMON_NAME>
2,7-dimethyl-6-octenoic acid

> <SYSTEMATIC_NAME>
2,7-dimethyl-6-octenoic acid

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VKYRDDIUSBRMFK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-8(2)6-4-5-7-9(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180247

> <ABBREVIATION>
FA 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282668

> <LIPIDBANK_ID>
DFA7097

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$