LMFA05000692
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0  0  0  0            999 V2000
    9.1225   -5.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5503   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1225   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -2.8556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5503   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -2.8556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8358   -2.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -2.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1225   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8370   -3.2681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5515   -2.8556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8370   -4.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2660   -3.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5515   -2.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9803   -2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2660   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  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
  2 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  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  6  0  0  0
 21 23  1  0  0  0  0
 21 24  1  6  0  0  0
 23 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
 28 30  1  6  0  0  0
 29 31  1  0  0  0  0
 29 32  1  1  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000692

> <COMMON_NAME>
phthiocerol

> <SYSTEMATIC_NAME>
(3S,4R,9R,11S)-3-methoxy-4-methylnonacosane-9,11-diol

> <FORMULA>
C31H64O3

> <MASS>
484.49

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HLQGVSDAPGNBGG-ITGKQZKFSA-N

> <INCHI>
InChI=1S/C31H64O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(32)27-30(33)26-23-22-24-28(3)31(6-2)34-4/h28-33H,5-27H2,1-4H3/t28-,29+,30-,31+/m1/s1

> <SMILES>
CCCCCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CCCC[C@@H](C)[C@@H](OC)CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
59240

> <ABBREVIATION>
FOH 31:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45266798

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$