LMFA02000390
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   15.3012   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1630   -8.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3012   -6.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4331   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5646   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6961   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9591   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0906   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2221   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4851   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7481   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0111   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -8.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -6.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2221   -9.1106    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  2  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
 15 21  1  1  0  0  0
 10 22  2  0     0  0
M  END
> <LM_ID>
LMFA02000390

> <COMMON_NAME>
Omphalotol A

> <SYSTEMATIC_NAME>
13R-hydroxy-8-oxo-octadeca-9E,11E-dienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HAENZAKQJHHPIT-BRKJJSFFSA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120900

> <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

$$$$