5317768
  CDK     1202211636

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    2.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 20  1  0  0  0  0 
  2 17  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 10  2  0  0  0  0 
  5  6  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 13  2  0  0  0  0 
  7 14  1  0  0  0  0 
  8 12  2  0  0  0  0 
  9 16  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 15  2  0  0  0  0 
 13 18  1  0  0  0  0 
 14 19  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:184773

> <NAME>
Glypallichalcone

> <STAR>
2

> <IUPAC_NAME>
(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

> <FORMULA>
C17H16O4

> <MASS>
284.311

> <MONOISOTOPIC_MASS>
284.10486

> <CHARGE>
0

> <SMILES>
O(C1=C(/C=C/C(=O)C2=CC=C(OC)C=C2)C=CC(O)=C1)C

> <INCHI>
InChI=1S/C17H16O4/c1-20-15-8-4-12(5-9-15)16(19)10-6-13-3-7-14(18)11-17(13)21-2/h3-11,18H,1-2H3/b10-6+

> <INCHIKEY>
CTBBBAQHUJVKNG-UXBLZVDNSA-N

> <CAS_REGISTRY_NUMBER>
146763-58-8

> <CHEMIDPLUS>
146763-58-8

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120432

$$$$