LMFA08010013
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   16.0434    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9821    7.0699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0434    8.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1261    7.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1587    7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4025    7.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4819    7.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5670    7.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6464    7.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7316    7.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8110    7.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8961    7.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9755    7.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6556    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4082    8.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    7.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3175    7.7659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  2  0  0  0  0
  4 17  1  6     0  0
  5 18  1  6     0  0
M  END
> <LM_ID>
LMFA08010013

> <COMMON_NAME>
Cerulenin

> <SYSTEMATIC_NAME>
cis-2-epoxy-4-oxo-7E,10E-dodecadienamide

> <FORMULA>
C12H17NO3

> <MASS>
223.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
Primary amides [FA0801]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GVEZIHKRYBHEFX-UOQDJENHSA-N

> <INCHI>
InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m0/s1

> <SMILES>
C([C@@]1([H])O[C@@]1([H])C(=O)CC/C=C/C/C=C/C)(=O)N

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14037267

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
150420

> <CITATION>
4858397

$$$$