LMFA05000549
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -3.0570   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3425   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -0.1179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5154   -0.5304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2299   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9443   -0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991    0.7071    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
  7  8  1  0  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
M  END
> <LM_ID>
LMFA05000549

> <COMMON_NAME>
(2R,3R)-heptane-1,2,3-triol

> <SYSTEMATIC_NAME>
(2R,3R)-heptane-1,2,3-triol

> <FORMULA>
C7H16O3

> <MASS>
148.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>
HEPTANE-1,2,3-TRIOL

> <INCHI_KEY>
HXYCHJFUBNTKQR-RNFRBKRXSA-N

> <INCHI>
InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7-/m1/s1

> <SMILES>
CCCC[C@@H](O)[C@H](O)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
43208

> <ABBREVIATION>
FOH 7:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
444397

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$