LMFA01060200
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   13.6048    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3164    5.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6048    7.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8881    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1710    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4539    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7368    6.2324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0197    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3026    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5855    5.8216    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8684    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1513    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    6.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7171    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8881    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7368    7.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5855    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA01060200

> <COMMON_NAME>
Phaseolic acid

> <SYSTEMATIC_NAME>
2-oxo-5,8,12-trihydroxy-dodecanoic acid

> <FORMULA>
C12H22O6

> <MASS>
262.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OPPXDBWFRYVXHW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H22O6/c13-8-2-1-3-9(14)4-5-10(15)6-7-11(16)12(17)18/h9-10,13-15H,1-8H2,(H,17,18)

> <SMILES>
C(C(=O)CCC(O)CCC(O)CCCCO)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031897

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73242171

> <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>
3885

> <CITATION>
7858198

$$$$