Mrv0541 02241207472D          

 25 27  0  0  0  0            999 V2000
   -0.3568   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9291   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9291   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB002842

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C=C2OC

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(22-2)10-16(23-3)18(24-4)19(17)25-14/h5-10H,1-4H3

> <INCHI_KEY>
DDGJUTBQQURRGE-UHFFFAOYSA-N

> <FORMULA>
C19H18O6

> <MOLECULAR_WEIGHT>
342.3426

> <EXACT_MASS>
342.110338308

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
35.8241981593832

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
3.16

> <JCHEM_LOGP>
2.3367000360000003

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.390357104862062

> <JCHEM_PKA_STRONGEST_BASIC>
-4.265857258360553

> <JCHEM_POLAR_SURFACE_AREA>
63.22000000000001

> <JCHEM_REFRACTIVITY>
92.82399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-demethoxytangeritin

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB002842

> <GENERIC_NAME>
Tetramethylisoscutellarein

$$$$