LMFA01020443
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
    2.1597    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1597   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234    0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0234   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4177   -1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    1.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8895    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7554   -0.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  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
  1  8  2  0     0  0
  4  9  1  6     0  0
  5 10  1  1     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
M  END
> <LM_ID>
LMFA01020443

> <COMMON_NAME>
Mycinonic acid II

> <SYSTEMATIC_NAME>
7R-hydroxy-6S-methyl-2E,4E-nonadienoic acid

> <FORMULA>
C10H16O3

> <MASS>
184.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GAGPGLNKJBDMHP-ZWAIYACTSA-N

> <INCHI>
InChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 10:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14082280

> <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>
28040

> <CITATION>
-

$$$$