LMFA01031201
  LIPID_MAPS_STRUCTURE_DATABASE

 51 50  0     0  0            999 V2000
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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  3  0  0  0  0
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  6 51  1  0     0  0
  5 51  1  0  0  0  0
M  END
> <LM_ID>
LMFA01031201

> <COMMON_NAME>
Petroformynic acid C

> <SYSTEMATIC_NAME>
34S,45S-dihydroxy-heptatetraconta-20Z,26Z,30E,43E-tetraen-2,32,35,46-tetraynoic acid

> <FORMULA>
C47H70O4

> <MASS>
698.53

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BQLNMCQNOASKKE-SZBZILBQSA-N

> <INCHI>
InChI=1S/C47H70O4/c1-2-45(48)41-37-33-29-27-28-31-35-39-43-46(49)42-38-34-30-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-32-36-40-44-47(50)51/h1,7,9,19,21,30,34,37,41,45-46,48-49H,3-6,8,10-18,20,22-29,31-33,35-36H2,(H,50,51)/b9-7-,21-19-,34-30+,41-37+/t45-,46-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 47:12;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24179624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627599

> <CITATION>
17985844

$$$$