LMFA05000483
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0     0  0            999 V2000
   11.2568    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  7  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
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000483

> <COMMON_NAME>
Heptan-3-ol

> <SYSTEMATIC_NAME>
Heptan-3-ol

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RZKSECIXORKHQS-UHFFFAOYSA-N

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

> <SMILES>
CCC(O)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031481

> <CHEBI_ID>
179170

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11520

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
493209

> <CITATION>
4852600

$$$$