LMFA08010032
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0  0  0  0  0  0  0  0999 V2000
   16.3865   -6.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3630   -7.3163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3865   -5.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4323   -7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4260   -7.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6394   -6.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6817   -7.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300   -6.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724   -7.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208   -6.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8632   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115   -6.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9538   -7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0021   -6.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9429   -8.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453   -5.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2326   -6.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5912   -6.5923    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  1     0  0
  5 18  1  1     0  0
M  END
> <LM_ID>
LMFA08010032

> <COMMON_NAME>
(+)-Cerulenin

> <SYSTEMATIC_NAME>
2R,3S-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>
2S,3R-epoxy-4-0x0-7,10- 67 trans,trans-dodecadienoic acid

> <INCHI_KEY>
GVEZIHKRYBHEFX-NQQPLRFYSA-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-/m1/s1

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

> <KEGG_ID>
C12058

> <HMDB_ID>
-

> <CHEBI_ID>
171741

> <ABBREVIATION>
NA 12:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282054

> <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>
-

$$$$