LMFA01050621
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   14.6490   -3.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5112   -3.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6490   -2.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7804   -3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9115   -3.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0426   -3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737   -3.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3048   -2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358   -2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669   -1.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291   -1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0913   -1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2223   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534   -1.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   -0.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291   -2.6217    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  3  0     0  0
  8  9  1  0     0  0
  9 10  3  0     0  0
 10 11  1  0     0  0
 11 12  1  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
 11 17  1  1     0  0
 12 18  1  6     0  0
M  END
> <LM_ID>
LMFA01050621

> <COMMON_NAME>
Maoleiferacid C

> <SYSTEMATIC_NAME>
9S,10R-dihydroxy-tetradeca-5,7-diynoic acid

> <FORMULA>
C14H20O4

> <MASS>
252.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DGOWLXGVVUQUNU-OLZOCXBDSA-N

> <INCHI>
InChI=1S/C14H20O4/c1-2-3-9-12(15)13(16)10-7-5-4-6-8-11-14(17)18/h12-13,15-16H,2-3,6,8-9,11H2,1H3,(H,17,18)/t12-,13+/m1/s1

> <SMILES>
C(CCCC#CC#C[C@H](O)[C@H](O)CCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 14:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
397392

> <CITATION>
41871788

$$$$