LMFA01050101
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   12.1226    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5868    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3190    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1850    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0511    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9171    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7832    7.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9171    8.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    8.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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
 10 12  2  0  0  0  0
 13  1  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
 19 18  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050101

> <COMMON_NAME>
Aleuritic acid

> <SYSTEMATIC_NAME>
9,10,16-trihydroxy-hexadecanoic acid

> <FORMULA>
C16H32O5

> <MASS>
304.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
9,10,16-trihydroxy palmitic acid

> <INCHI_KEY>
MEHUJCGAYMDLEL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177476

> <ABBREVIATION>
FA 16:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10790

> <LIPIDBANK_ID>
DFA0367

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
473130

> <CITATION>
2610974

$$$$