LMFA11000433
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
   12.3650    7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4647    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5641    7.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628    7.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8621    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9615    7.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    6.0609    0.0000 C   0  0  0  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  5  1  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
  4  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000433

> <COMMON_NAME>
4-Methyloctane

> <SYSTEMATIC_NAME>
4-Methyloctane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DOGIHOCMZJUJNR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3

> <SMILES>
CCCC(C)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16665

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
464926

> <CITATION>
12523563

$$$$