LMFA02000414
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4338   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    0.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0564   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9308   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8052   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6795   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4282   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3026   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1768   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0512   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9256   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7999   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6742   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5486   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4230   -0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2972   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4282    0.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538   -1.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6795    0.7495    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
 11 21  1  0     0  0
 10 22  1  0     0  0
  9 23  1  0     0  0
M  END
> <LM_ID>
LMFA02000414

> <COMMON_NAME>
Govanic Acid

> <SYSTEMATIC_NAME>
7,8,9-trihydroxy-10Z-octadecenoic acid

> <FORMULA>
C18H34O5

> <MASS>
330.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7,8,9-triHOME

> <INCHI_KEY>
IFNSOVOJBDIMSN-XFXZXTDPSA-N

> <INCHI>
InChI=1S/C18H34O5/c1-2-3-4-5-6-7-9-12-15(19)18(23)16(20)13-10-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/b12-9-

> <SMILES>
C(CCCCCC(O)C(O)C(O)/C=C\CCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
82485

> <CITATION>
11520218

$$$$