LMFA05000478
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    9.4292    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6910    5.6737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9529    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2146    5.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4764    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7382    5.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6910    6.3342    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  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
  2  8  1  1  0  0  0
M  END
> <LM_ID>
LMFA05000478

> <COMMON_NAME>
Heptan-2S-ol

> <SYSTEMATIC_NAME>
Heptan-2S-ol

> <FORMULA>
C7H16O

> <MASS>
116.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
(S)-Heptan-2-ol

> <INCHI_KEY>
CETWDUZRCINIHU-ZETCQYMHSA-N

> <INCHI>
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1

> <SMILES>
C[C@H](O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
87378

> <ABBREVIATION>
FOH 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
2724897

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$