LMFA07100023
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.0394   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9094   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7793   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6493   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3893   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9993   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8693   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7392   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6092   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4792   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3492   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2192   -6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0891   -6.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2192   -7.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377   -5.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2152   -5.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0394   -7.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   -6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9552   -6.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
  2 18  1  0     0  0
  2 19  1  0     0  0
  1 20  1  0     0  0
  1 21  1  0     0  0
 16 22  1  0     0  0
M  END
> <LM_ID>
LMFA07100023

> <COMMON_NAME>
Gambaoic acid B methyl ester

> <SYSTEMATIC_NAME>
Methyl 14-methyl-14,15-dihydroxyhexadecanoate

> <FORMULA>
C18H36O4

> <MASS>
316.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PPGOJJMHURRIPS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O4/c1-16(19)18(2,21)15-13-11-9-7-5-4-6-8-10-12-14-17(20)22-3/h16,19,21H,4-15H2,1-3H3

> <SMILES>
C(C)(O)C(O)(C)CCCCCCCCCCCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 18:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328657

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]; Branched fatty acids [FA0102]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1409

> <CITATION>
41933253

$$$$