LMFA01090044
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   16.4320    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7174    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0029    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5740    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7174    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1449    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4305    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2374    0.0000 C   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
   10.0015    7.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.0000    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
  2  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090044

> <COMMON_NAME>
9-chloro-10-hydroxy-hexadecanoic acid

> <SYSTEMATIC_NAME>
9-chloro-10-hydroxy-hexadecanoic acid

> <FORMULA>
C16H31ClO3

> <MASS>
306.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
9-Chloro-10-hydroxyhexadecanoic acid

> <INCHI_KEY>
YTOQELMVXKVDDX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H31ClO3/c1-2-3-4-9-12-15(18)14(17)11-8-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)

> <SMILES>
OC(=O)CCCCCCCC(Cl)C(O)CCCCCC

> <KEGG_ID>
C13949

> <HMDB_ID>
-

> <CHEBI_ID>
34508

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
656826

> <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>
6145

> <CITATION>
11958814

$$$$