LMFA01050098
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8249    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
    7.8580    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050098

> <COMMON_NAME>
Digitoxic acid

> <SYSTEMATIC_NAME>
3,4,5-trihydroxy-hexanoic acid

> <FORMULA>
C6H12O5

> <MASS>
164.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GANHVRLFUFUPED-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O5/c1-3(7)6(11)4(8)2-5(9)10/h3-4,6-8,11H,2H2,1H3,(H,9,10)

> <SMILES>
C(O)(C)C(O)C(O)CC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137774

> <ABBREVIATION>
FA 6:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282934

> <LIPIDBANK_ID>
DFA0364

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$