LMFA01050028
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   12.1228    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7213    6.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    7.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    6.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    6.0609    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
  3  5  2  0  0  0  0
  1  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
M  END
> <LM_ID>
LMFA01050028

> <COMMON_NAME>
9-hydroxy pelargonic acid

> <SYSTEMATIC_NAME>
9-hydroxy-nonanoic acid

> <FORMULA>
C9H18O3

> <MASS>
174.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFZMICRBFKZNIH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
79121

> <ABBREVIATION>
FA 9:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
138052

> <LIPIDBANK_ID>
DFA0294

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
304530

> <CITATION>
31493166

$$$$