183466
  CDK     0602212313

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.2453   -0.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358    2.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443   -1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122   -2.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -0.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346   -0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1315   -1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604   -1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 24  1  0  0  0  0 
  3 12  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4 14  1  0  0  0  0 
  4 26  1  0  0  0  0 
  5 15  1  0  0  0  0 
  5 27  1  0  0  0  0 
  6 16  2  0  0  0  0 
  7 23  1  0  0  0  0 
  7 28  1  0  0  0  0 
  8 21  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
  9 16  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  2  0  0  0  0 
 12 15  2  0  0  0  0 
 13 17  2  0  0  0  0 
 13 18  1  0  0  0  0 
 14 15  1  0  0  0  0 
 16 17  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 20 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:175928

> <NAME>
3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone

> <STAR>
2

> <IUPAC_NAME>
2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

> <FORMULA>
C20H20O8

> <MASS>
388.372

> <MONOISOTOPIC_MASS>
388.11582

> <CHARGE>
0

> <SMILES>
O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC(O)=C(OC)C=C3

> <INCHI>
InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3

> <INCHIKEY>
XFYYZBJXMSDKCV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112448-39-2

> <CHEMIDPLUS>
112448-39-2

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111478

$$$$