LMFA11000606
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  3  1  0  0  0  0
  3  7  1  0  0  0  0
  7  5  1  0  0  0  0
  5  4  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000606

> <COMMON_NAME>
3-methyl-heptane

> <SYSTEMATIC_NAME>
3-methyl-heptane

> <FORMULA>
C8H18

> <MASS>
114.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LAIUFBWHERIJIH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

> <SMILES>
CCCCC(C)CC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031583

> <CHEBI_ID>
89985

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11519

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$