Mrv0541 01161415042D          

 28 30  0  0  0  0            999 V2000
    5.3569   -5.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3569   -6.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452   -6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452   -7.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -6.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -6.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -5.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -5.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452   -5.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728   -5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728   -4.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7845   -3.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5003   -4.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5003   -5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7845   -5.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579   -3.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717   -6.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -5.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -4.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724   -7.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -3.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -5.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146   -3.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146   -5.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9293   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2143   -6.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
  1  2  2  0  0  0  0
  2 19  1  0  0  0  0
  2  3  1  0  0  0  0
  8 20  1  0  0  0  0
  3  4  2  0  0  0  0
  9 21  1  0  0  0  0
  3  5  1  0  0  0  0
 19 22  1  0  0  0  0
  5  6  1  0  0  0  0
 21 23  1  0  0  0  0
  6  7  2  0  0  0  0
 20 24  1  0  0  0  0
  7  8  1  0  0  0  0
 15 25  1  0  0  0  0
  8  9  2  0  0  0  0
 16 26  1  0  0  0  0
  9 10  1  0  0  0  0
 25 27  1  0  0  0  0
  5 10  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <ID>
CHEBI:69453

> <NAME>
2'-hydroxy-3,7,8,4',5'-pentamethoxyflavone

> <DEFINITION>
A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8, 4' and 5' and a hydroxy group at position 2'. It has been isolated from  Mimosa diplotricha.

> <STAR>
3

> <IUPAC_NAME>
2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one

> <FORMULA>
C20H20O8

> <MASS>
388.36800

> <MONOISOTOPIC_MASS>
388.11582

> <CHARGE>
0

> <SMILES>
COc1ccc2c(oc(-c3cc(OC)c(OC)cc3O)c(OC)c2=O)c1OC

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

> <INCHIKEY>
ILFIBHRYVRDHNZ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
7605009

> <PUBMED_CITATION>
21875046

$$$$