LMFA01031182
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -2.1994   -0.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9619   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8433   -0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7245   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6057   -0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4871   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3683   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2495   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1309   -0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0121   -1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8935   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7747   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6559   -2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5373   -2.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4185   -2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9824    0.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7793    0.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6559   -3.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  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  2  0     0  0
  8  9  2  0     0  0
  9 10  1  6     0  0
 10 11  3  0     0  0
 11 12  1  0     0  0
 12 13  3  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  9 17  1  1     0  0
  7 18  1  0     0  0
  2 19  2  0     0  0
 14 20  1  0     0  0
M  END
> <LM_ID>
LMFA01031182

> <COMMON_NAME>
Phomallenic acid A

> <SYSTEMATIC_NAME>
13-hydroxy(10R,6Z,7Z)-pentadeca-6,7-dien-9,11-diynoic acid

> <FORMULA>
C15H18O3

> <MASS>
246.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YZCDHRPWTDTXRF-QVZGUCRKSA-N

> <INCHI>
InChI=1S/C15H18O3/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h4-5,14,16H,2,7,9,11,13H2,1H3,(H,17,18)/t3-,14?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 15:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11680354

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
360613

> <CITATION>
16562839

$$$$