LMFA01050617
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.7571   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6231   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0872   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8192   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6853   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5513   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4173   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2833   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1494   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0154   -2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8814   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7474   -2.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8814   -3.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481   -1.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9321   -1.5850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571   -3.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910   -2.2850    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
M  END
> <LM_ID>
LMFA01050617

> <COMMON_NAME>
Gambaoic acid B

> <SYSTEMATIC_NAME>
14-methyl-14,15-dihydroxyhexadecanoic acid

> <FORMULA>
C17H34O4

> <MASS>
302.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JUEMGHZPRUJPNP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H34O4/c1-15(18)17(2,21)14-12-10-8-6-4-3-5-7-9-11-13-16(19)20/h15,18,21H,3-14H2,1-2H3,(H,19,20)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 17:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328033

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1409

> <CITATION>
41933253

$$$$