LMFA01031181
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4365   -0.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3161   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8360   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7159   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5958   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4758   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3557   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2356   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1156   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9955   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8755   -1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7554   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6354   -2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5154   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3953   -2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9673    0.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7691    0.4388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -1.7555    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  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  2  0     0  0
 11 12  1  6     0  0
 12 13  3  0     0  0
 13 14  1  0     0  0
 14 15  3  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 11 19  1  1     0  0
  9 20  1  0     0  0
  2 21  2  0     0  0
M  END
> <LM_ID>
LMFA01031181

> <COMMON_NAME>
Phomallenic acid B

> <SYSTEMATIC_NAME>
(10R,8Z,9Z)-heptadeca-8,9-dien-11,13-diynoic acid

> <FORMULA>
C17H22O2

> <MASS>
258.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VMBBTKBMFHKNCM-VIFPVBQESA-N

> <INCHI>
InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8,10H,2-3,11-16H2,1H3,(H,18,19)/t9-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 17:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11680457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
360613

> <CITATION>
16562839

$$$$