LMFA02000391
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   15.3016   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1634   -8.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3016   -6.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4334   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5649   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6964   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8279   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3538   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4853   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1427   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -7.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -9.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0293   -7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -6.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -9.1109    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  2  0  0  0  0
 12 13  1  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
 10 21  2  0     0  0
  2 22  1  0     0  0
 13 23  1  1     0  0
 14 24  1  6     0  0
M  END
> <LM_ID>
LMFA02000391

> <COMMON_NAME>
Omphalotol B

> <SYSTEMATIC_NAME>
methyl 11S,12R-dihydroxy-8-oxo-9E-octadecenoate

> <FORMULA>
C19H34O5

> <MASS>
342.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QEZBBWZDIOPSQQ-MCXRAWCPSA-N

> <INCHI>
InChI=1S/C19H34O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-15,17-18,21-22H,3-13H2,1-2H3/b15-14+/t17-,18+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120901

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
72119

> <CITATION>
35215253

$$$$