LMFA01050585
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  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
   -3.0363   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7736   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6422   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3793   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2480   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1166   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1201    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9809   -0.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363   -1.7464    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
  2 16  1  0     0  0
  6 17  1  0     0  0
M  END
> <LM_ID>
LMFA01050585

> <COMMON_NAME>
Cladosporester B

> <SYSTEMATIC_NAME>
Methyl 4,11-dihydroxy-2E-dodecenoate

> <FORMULA>
C13H24O4

> <MASS>
244.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGEZQWKVVXLPTP-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C13H24O4/c1-11(14)7-5-3-4-6-8-12(15)9-10-13(16)17-2/h9-12,14-15H,3-8H2,1-2H3/b10-9+

> <SMILES>
C(/C=C/C(O)CCCCCCC(C)O)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156581608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29917

> <CITATION>
28847042

$$$$