LMFA01020399
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   -0.4312   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4312   -0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7763   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6454   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5146   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3837   -0.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7763   -1.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  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
  8 12  1  1     0  0
M  END
> <LM_ID>
LMFA01020399

> <COMMON_NAME>
Dendryphiellic acid B

> <SYSTEMATIC_NAME>
8-hydroxy-6S-methyl-2E,4E-octadienoic acid

> <FORMULA>
C9H14O3

> <MASS>
170.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2E,4E,6S)-8-hydroxy-6-methyl-octa-2,4-dienoic acid

> <INCHI_KEY>
KFHQGKGXRZPBOB-YFIBRCQFSA-N

> <INCHI>
InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m1/s1

> <SMILES>
C(/C=C/C=C/[C@@H](C)CCO)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184454

> <ABBREVIATION>
FA 9:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
96009607

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$