5320428
  CDK     0910211423

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    1.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2 12  2  0  0  0  0 
  3 15  1  0  0  0  0 
  4 20  1  0  0  0  0 
  4 28  1  0  0  0  0 
  5 18  1  0  0  0  0 
  6 25  1  0  0  0  0 
  6 29  1  0  0  0  0 
  7 23  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 15  2  0  0  0  0 
 11 17  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 18  1  0  0  0  0 
 14 19  2  0  0  0  0 
 15 21  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 22  2  0  0  0  0 
 18 24  2  0  0  0  0 
 19 23  1  0  0  0  0 
 20 21  2  0  0  0  0 
 22 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:178247

> <NAME>
Artoindonesianin Q

> <STAR>
2

> <IUPAC_NAME>
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one

> <FORMULA>
C22H22O7

> <MASS>
398.411

> <MONOISOTOPIC_MASS>
398.13655

> <CHARGE>
0

> <SMILES>
O1C(=C(CC=C(C)C)C(=O)C=2C1=CC(OC)=CC2O)C=3C(O)=CC(OC)=C(O)C3

> <INCHI>
InChI=1S/C22H22O7/c1-11(2)5-6-13-21(26)20-17(25)7-12(27-3)8-19(20)29-22(13)14-9-16(24)18(28-4)10-15(14)23/h5,7-10,23-25H,6H2,1-4H3

> <INCHIKEY>
YIGFIYUYIAFKOH-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110910

$$$$