LMFA01050583
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0364   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6423   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3795   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2482   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1168   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1203    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9811   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9052    0.7512    0.0000 O   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  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
 13 15  1  0     0  0
  7 16  1  0     0  0
M  END
> <LM_ID>
LMFA01050583

> <COMMON_NAME>
Cladosporacid A

> <SYSTEMATIC_NAME>
5,11-dihydroxy-2E-dodecenoic acid

> <FORMULA>
C12H22O4

> <MASS>
230.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BAFMYYVGHUWMQJ-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C12H22O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h5,9-11,13-14H,2-4,6-8H2,1H3,(H,15,16)/b9-5+

> <SMILES>
C(/C=C/CC(O)CCCCCC(C)O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156581610

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29917

> <CITATION>
28847042

$$$$