LMFA02000377
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4368   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -0.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368    0.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0781   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9586   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8391    0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7196    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6002    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4807    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3613    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2418    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1223    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0028    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8833    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7639    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6444    0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5250    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4055    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169   -1.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829   -2.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1223    1.7567    0.0000 C   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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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  2  0  0  0  0
  4 21  1  1     0  0
 21 22  1  0     0  0
 14 23  1  0     0  0
M  END
> <LM_ID>
LMFA02000377

> <COMMON_NAME>
(Z)-Stellettic acid B

> <SYSTEMATIC_NAME>
2S-methoxy-12-methyloctadeca-7Z,17-dien-5-ynoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KHBWVVURFCWYNT-YAALGORWSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22)/b8-7-/t18?,19-/m0/s1

> <SMILES>
C([C@@H](OC)CCC#C/C=C\CCCC(C)CCCCC=C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10914199

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2646757

> <CITATION>
12662102

$$$$