LMFA02000090
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   17.1801    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8911    6.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1801    7.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4639    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7474    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0309    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3144    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5979    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8814    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1650    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0155    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    6.0684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5824    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8659    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1495    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7165    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990    5.2475    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  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  1  0  0  0
M  END
> <LM_ID>
LMFA02000090

> <COMMON_NAME>
12S-HOME(10E)

> <SYSTEMATIC_NAME>
12S-hydroxy10E-octadecenoic acid

> <FORMULA>
C18H34O3

> <MASS>
298.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12S-HOME

> <INCHI_KEY>
KQSRBPJISPYLOS-VMEIHUARSA-N

> <INCHI>
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1

> <SMILES>
C(CCCCCCCC/C=C/[C@@H](O)CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179218

> <ABBREVIATION>
FA 18:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935866

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
21852690

$$$$