LMFA11000611
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7350    6.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4701    5.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052    6.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4102    5.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6474    6.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6751    6.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9186    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    5.7287    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  9  7  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000611

> <COMMON_NAME>
2,3-dimethylhexane

> <SYSTEMATIC_NAME>
2,3-dimethylhexane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WBRFDUJXCLCKPX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3

> <SMILES>
CCCCC(C)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
26375

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$