LMFA02000229
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.9708    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2563    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5419    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8274    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3985    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2563    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2551    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5407    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8262    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1117    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3973    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5407    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8262    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000229

> <COMMON_NAME>
9,10-DiHOME

> <SYSTEMATIC_NAME>
9,10-dihydroxy-12Z-octadecenoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(12Z)-9,10-Dihydroxyoctadec-12-enoic acid; Leukotoxin diol

> <INCHI_KEY>
XEBKSQSGNGRGDW-YFHOEESVSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-

> <SMILES>
OC(=O)CCCCCCCC(O)C(O)C/C=C\CCCCC

> <KEGG_ID>
C14828

> <HMDB_ID>
HMDB0004704

> <CHEBI_ID>
72663

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501360

> <PUBCHEM_COMPOUND_ID>
9966640

> <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>
-

$$$$