LMFA01031232
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0     0  0            999 V2000
   -0.4325   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -0.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325    0.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9188   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7905   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6622   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5339   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4056   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2773   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1490   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0207   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8924   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7640   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6357   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5074   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3791   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2508   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1226   -1.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9943   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8660   -0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7377   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6093   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4810   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3527   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2244   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0961   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9678   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8395   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.7112   -0.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.5829    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8395   -1.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  3  0  0  0  0
 31 34  1  0  0  0  0
M  END
> <LM_ID>
LMFA01031232

> <COMMON_NAME>
Corticatic acid B

> <SYSTEMATIC_NAME>
29-hydroxy-hentriaconta-4E,17Z,27E-triene-2,20,30-triynoic acid

> <FORMULA>
C31H44O3

> <MASS>
464.33

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ACNZSZPAYNDIRJ-OYABAQPGSA-N

> <INCHI>
InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23+,28-26+

> <SMILES>
C(C#C/C=C/CCCCCCCCCCC/C=C\CC#CCCCCC/C=C/C(O)C#C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 31:9;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9981931

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
68563

> <CITATION>
7807132

$$$$