10881804
  CDK     1202211636

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.8178   -1.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3902   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2 19  2  0  0  0  0 
  3 20  1  0  0  0  0 
  4 24  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7 13  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 15  2  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 19  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:184832

> <NAME>
Kanzonol B

> <STAR>
2

> <IUPAC_NAME>
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one

> <FORMULA>
C20H18O4

> <MASS>
322.360

> <MONOISOTOPIC_MASS>
322.12051

> <CHARGE>
0

> <SMILES>
O1C(C=CC2=C1C=CC(=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)(C)C

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)10-9-14-11-13(4-8-19(14)24-20)3-7-17(22)16-6-5-15(21)12-18(16)23/h3-12,21,23H,1-2H3/b7-3+

> <INCHIKEY>
TUHJQMZJOMZXJO-XVNBXDOJSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12120076

$$$$