Mrv0541 05061312332D          

 24 27  0  0  0  0            999 V2000
   -0.7304   -0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3445   -0.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5591   -1.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8798    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067    0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337   -0.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2483   -1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072    0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9180    0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4370    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7711   -0.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2002   -2.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204    2.5919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6298    1.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461   -0.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
 10  1  1  0  0  0  0
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 24 18  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB021214

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CCC2=C3OC(=CC3=CC(O)=C2OC1)C1=CC(O)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H16O5/c1-10-2-3-15-18-12(6-16(22)19(15)23-9-10)7-17(24-18)11-4-13(20)8-14(21)5-11/h2,4-8,20-22H,3,9H2,1H3

> <INCHI_KEY>
FQHZBTIVEUAARU-UHFFFAOYSA-N

> <FORMULA>
C19H16O5

> <MOLECULAR_WEIGHT>
324.3273

> <EXACT_MASS>
324.099773622

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
34.73695332612053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-{8-hydroxy-12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1,4,6,8,12-pentaen-4-yl}benzene-1,3-diol

> <ALOGPS_LOGP>
3.55

> <JCHEM_LOGP>
3.5976013829999993

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.245036480337248

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.629413853064476

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0157722654443604

> <JCHEM_POLAR_SURFACE_AREA>
83.06

> <JCHEM_REFRACTIVITY>
90.07490000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{8-hydroxy-12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1,4,6,8,12-pentaen-4-yl}benzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB021214

> <GENERIC_NAME>
Moracin L

$$$$