21721821
  CDK     1202211637

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.2453    0.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2359    2.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.3825    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
    4.5079    1.3654    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
    5.2453    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    0.1079    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
    3.7934    1.7779    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
    3.0789    1.3654    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
    6.7026   -0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.9346    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
    7.4154   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    0.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1315   -0.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 11  2  0  0  0  0 
  3 14  1  0  0  0  0 
  4 15  1  0  0  0  0 
  5 20  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
  9 14  2  0  0  0  0 
 10 13  1  0  0  0  0 
 10 15  1  0  0  0  0 
 12 18  2  0  0  0  0 
 12 19  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 16  2  0  0  0  0 
 17 20  1  0  0  0  0 
 17 21  2  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
 20 25  2  0  0  0  0 
 21 26  1  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
 25 27  1  0  0  0  0 
 26 27  2  0  0  0  0 
M  END
> <ID>
CHEBI:186240

> <NAME>
Chamanetin

> <STAR>
2

> <IUPAC_NAME>
5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one

> <FORMULA>
C22H18O5

> <MASS>
362.381

> <MONOISOTOPIC_MASS>
362.11542

> <CHARGE>
0

> <SMILES>
O1C(CC(=O)C=2C1=C(CC=3C(O)=CC=CC3)C(O)=CC2O)C4=CC=CC=C4

> <INCHI>
InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-18(25)21-19(26)12-20(27-22(15)21)13-6-2-1-3-7-13/h1-9,11,20,23-25H,10,12H2

> <INCHIKEY>
SDGMASFMCKFHSI-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140147

$$$$