LMFA05000484
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0     0  0            999 V2000
   11.2568    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.5606    0.0000 O   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  7  1  0  0  0  0
  7  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000484

> <COMMON_NAME>
Heptan-4-ol

> <SYSTEMATIC_NAME>
Heptan-4-ol

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVBCULSIZWMTFY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3

> <SMILES>
CCCC(O)CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165516

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11513

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
606754; 907742

> <CITATION>
16921517

$$$$