5491643
  CDK     0602212312

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.2453   -0.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122   -2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443   -1.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026   -1.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1315   -1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604   -1.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3 15  1  0  0  0  0 
  3 24  1  0  0  0  0 
  4 17  1  0  0  0  0 
  5 13  2  0  0  0  0 
  6 20  1  0  0  0  0 
  6 25  1  0  0  0  0 
  7 21  1  0  0  0  0 
  7 26  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 11  1  0  0  0  0 
  8 13  1  0  0  0  0 
  9 16  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 15  2  0  0  0  0 
 12 18  2  0  0  0  0 
 12 19  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 17  2  0  0  0  0 
 18 20  1  0  0  0  0 
 19 22  2  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:175600

> <NAME>
7-Hydroxy-3',4',5,6-tetramethoxyflavone

> <STAR>
2

> <IUPAC_NAME>
2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6-dimethoxychromen-4-one

> <FORMULA>
C19H18O7

> <MASS>
358.346

> <MONOISOTOPIC_MASS>
358.10525

> <CHARGE>
0

> <SMILES>
O1C2=C(C(OC)=C(OC)C(O)=C2)C(=O)C=C1C3=CC(OC)=C(OC)C=C3

> <INCHI>
InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-16(26-14)9-12(21)18(24-3)19(17)25-4/h5-9,21H,1-4H3

> <INCHIKEY>
QZNYGJAJWILZLF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
40983-99-1

> <CHEMIDPLUS>
40983-99-1

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111242

$$$$