LMFA01050555
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7753   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5131   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3820   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2510   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1199   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9887   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8576   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7266   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5955   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4644   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3334   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2022   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9887   -1.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8576    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5955    0.7466    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  0     0  0
 15 22  1  0     0  0
 17 23  1  0     0  0
M  END
> <LM_ID>
LMFA01050555

> <COMMON_NAME>
12,13,15-trihydroxy-9E-octadecenoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H34O5

> <MASS>
330.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18:1(9E)(12,13,15OH)

> <INCHI_KEY>
ZGSOWLLPRXIOOF-VQHVLOKHSA-N

> <INCHI>
InChI=1S/C18H34O5/c1-2-11-15(19)14-17(21)16(20)12-9-7-5-3-4-6-8-10-13-18(22)23/h7,9,15-17,19-21H,2-6,8,10-14H2,1H3,(H,22,23)/b9-7+

> <SMILES>
C(CCCCCCC/C=C/CC(O)C(O)CC(O)CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187093

> <ABBREVIATION>
FA 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812112

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
44588

> <CITATION>
19836436

$$$$