LMFA01050267
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   19.4490    6.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3347    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4490    7.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5569    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6643    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7717    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8791    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9865    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0939    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2013    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3087    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4161    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5236    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6310    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5236    7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  6  0  0  0
M  END
> <LM_ID>
LMFA01050267

> <COMMON_NAME>
Jalapinolic acid

> <SYSTEMATIC_NAME>
11S-hydroxy-hexadecanoic acid

> <FORMULA>
C16H32O3

> <MASS>
272.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Hexadecanoic acid, 11-hydroxy-, (S)-; (+)-Jalapinolic acid; (11S)-Jalapinolic acid; Builic acid; Buiolic acid; Scammonolic acid; Turpetholic acid E

> <INCHI_KEY>
YNQGVRJFSHTULP-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75785

> <ABBREVIATION>
FA 16:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312820

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3538

> <CITATION>
-

$$$$