79730
  CDK     0602212312

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    1.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    0.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263    2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 14  1  0  0  0  0 
  3 22  1  0  0  0  0 
  4 10  2  0  0  0  0 
  5 20  1  0  0  0  0 
  5 23  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
  9 15  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 16  2  0  0  0  0 
 11 17  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:174981

> <NAME>
4',5,7-Trimethoxyflavone

> <STAR>
2

> <IUPAC_NAME>
5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

> <FORMULA>
C18H16O5

> <MASS>
312.321

> <MONOISOTOPIC_MASS>
312.09977

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3

> <INCHIKEY>
ZXJJBDHPUHUUHD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5631-70-9

> <CHEMIDPLUS>
5631-70-9

> <KEGG_COMPOUND_ACCESSION>
C14985

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111071

$$$$