Mrv0541 01161415092D          

 25 27  0  0  0  0            999 V2000
   14.2611   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2611   -6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5494   -6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5494   -7.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8335   -6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1176   -6.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4018   -6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4018   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1176   -4.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8335   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5494   -4.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9769   -4.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9769   -3.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6886   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4045   -3.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4045   -4.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6886   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2621   -3.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1188   -3.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8334   -3.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1188   -5.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1184   -6.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1176   -7.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -4.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6878   -3.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  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
 15 19  1  0  0  0  0
  2  3  1  0  0  0  0
 19 20  1  0  0  0  0
  3  4  2  0  0  0  0
 16 21  1  0  0  0  0
  3  5  1  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6 23  1  0  0  0  0
  6  7  2  0  0  0  0
  8 24  1  0  0  0  0
  7  8  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:69454

> <NAME>
hernancorizin

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

> <STAR>
3

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

> <FORMULA>
C18H16O7

> <MASS>
344.31540

> <MONOISOTOPIC_MASS>
344.08960

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)cc1O

> <INCHI>
InChI=1S/C18H16O7/c1-22-9-4-12(20)18-13(21)8-14(25-17(18)5-9)10-6-15(23-2)16(24-3)7-11(10)19/h4-8,19-20H,1-3H3

> <INCHIKEY>
GAZAWYKMEQJTCX-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21878431

> <PUBMED_CITATION>
21875046

$$$$