Marvin  12180612032D          

 27 29  0  0  0  0            999 V2000
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1  2  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5 20  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  7  2  1  0  0  0  0
  7 24  1  0  0  0  0
  4  8  1  0  0  0  0
  8 11  2  0  0  0  0
  6  9  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
  8 10  1  0  0  0  0
 20 12  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 21 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 26  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <ID>
CHEBI:9400

> <NAME>
tangeretin

> <DEFINITION>
A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.

> <STAR>
3

> <SYNONYM>
tangeritin; Tangeretin; 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,6,7,8,4'-Pentamethoxyflavone; 4',5,6,7,8-pentamethoxyflavone

> <IUPAC_NAME>
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

> <FORMULA>
C20H20O7

> <MASS>
372.36860

> <MONOISOTOPIC_MASS>
372.12090

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1

> <INCHI>
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3

> <INCHIKEY>
ULSUXBXHSYSGDT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
351695

> <CAS_REGISTRY_NUMBER>
481-53-8

> <REAXYS_REGISTRY_NUMBER>
351695

> <CHEMIDPLUS>
481-53-8

> <KEGG_COMPOUND_ACCESSION>
C10190

> <KNAPSACK_ACCESSION>
C00001105

> <LINCS_ACCESSION>
LSM-2548

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111443

> <WIKIPEDIA_ACCESSION>
Tangeritin

> <PUBMED_CITATION>
22476082; 22585555; 22850615; 23137376; 23254473; 23265538

$$$$