LMFA02000302
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4337   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9302   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8044   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6786   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5528   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4271   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3013   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1755   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0497   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9239   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7981   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6724   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5466   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4208   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2950   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0497    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9239   -1.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 14 21  1  1     0  0
 15 22  1  1     0  0
M  END
> <LM_ID>
LMFA02000302

> <COMMON_NAME>
12,13-Dihydroxyoleic acid

> <SYSTEMATIC_NAME>
12S,13S-dihydroxy-9Z-Octadecenoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
9-Octadecenoic acid, 12,13-dihydroxy-, (9Z,12S,13S)-

> <INCHI_KEY>
CQSLTKIXAJTQGA-BTDPBSJTSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/t16-,17-/m0/s1

> <SMILES>
C(CCCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25320870

> <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>
-

> <CITATION>
-

$$$$