LMPK13090019
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.6220    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6233    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    8.1350    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3377    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0522    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    8.9600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 14  9  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  CHG  2  15   1  19  -1
M  END
> <LM_ID>
LMPK13090019

> <COMMON_NAME>
(E)-4-Methoxy-4'-nitrostilbene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H13NO3

> <MASS>
255.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-1-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene

> <INCHI_KEY>
PDFBJCRLHMEJQP-NSCUHMNNSA-N

> <INCHI>
InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+

> <SMILES>
C1([N+]([O-])=O)=CC=C(/C=C/C2=CC=C(OC)C=C2)C=C1

> <KEGG_ID>
C14622

> <HMDB_ID>
-

> <CHEBI_ID>
34006

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
745105

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$