LMFA05000073
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.4279    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5717    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0009    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7155    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0031    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7176    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4322    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1469    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8602    5.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8448    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0197    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    6.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000073

> <COMMON_NAME>
iso-1,2-nonadecanediol

> <SYSTEMATIC_NAME>
2-methyloctadecane-1,2-diol

> <FORMULA>
C19H40O2

> <MASS>
300.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGAJIIVHPGUGOH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,21)18-20/h20-21H,3-18H2,1-2H3

> <SMILES>
C(CC)CCCCCCCCCCCCCC(O)(C)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187145

> <ABBREVIATION>
FOH 19:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607319

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
120962

> <CITATION>
12189424

$$$$