LMFA07090167
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   -0.6960    2.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634    2.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    3.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8824    0.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183   -0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -2.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5226   -1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -0.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 22  2  1  1  0  0  0
 27 25  1  1  0  0  0
 19 31  1  0     0  0
M  END
> <LM_ID>
LMFA07090167

> <COMMON_NAME>
Heterofibrin B3

> <SYSTEMATIC_NAME>
2R-(2R-(17-methyl-9E-octadecen-5,7-diynoyloxy)propanoyloxy)propanoic acid

> <FORMULA>
C25H36O6

> <MASS>
432.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UMQXRBQJUMJBKP-QDWIBDRMSA-N

> <INCHI>
InChI=1S/C25H36O6/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23(26)30-22(4)25(29)31-21(3)24(27)28/h5-6,20-22H,8,10,12,14-19H2,1-4H3,(H,27,28)/b6-5+/t21-,22-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 25:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46862739

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619710

> <CITATION>
20626092

$$$$