LMPK13090027
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.1434    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9684    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5559    8.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    6.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5408    6.4850    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8263    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  4  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
> <LM_ID>
LMPK13090027

> <COMMON_NAME>
trans-2-(4-nitrophenyl)-3-phenyloxirane

> <SYSTEMATIC_NAME>


> <FORMULA>
C14H11NO3

> <MASS>
241.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
trans- alpha,alpha'-epoxy-4-nitrobibenzyl; trans-4-nitrostilbene oxide

> <INCHI_KEY>
YUZKNYLREGXARL-KBPBESRZSA-N

> <INCHI>
InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1

> <SMILES>
[C@@H]1(C2=CC=CC=C2)O[C@H]1C1=CC=C([N+](=O)[O-])C=C1

> <KEGG_ID>
C15268

> <HMDB_ID>
-

> <CHEBI_ID>
79770

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
248990

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$