LMFA01060195
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    9.8414    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9834    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5558    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8414    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.3099    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
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5 12  1  6  0  0  0
  3 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060195

> <COMMON_NAME>
diketo-gulonic acid

> <SYSTEMATIC_NAME>
2,3-dioxo-4R,5S,6-trihydroxy-hexanoic acid

> <FORMULA>
C6H8O7

> <MASS>
192.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GJQWCDSAOUMKSE-STHAYSLISA-N

> <INCHI>
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1

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

> <KEGG_ID>
C04575

> <HMDB_ID>
HMDB0005971

> <CHEBI_ID>
15622

> <ABBREVIATION>
FA 6:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440390

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$