3828
  -OEChem-06231013072D

 31 33  0     0  0  0  0  0  0999 V2000
    3.7702   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -0.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -1.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
405

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIyBsAABECIAqhSgAICCAAkIAAIiAFGiMgNJzaENR6COWKl4BUKqYfK7vzuIQADCAAIQABCAAYQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,9-dimethoxy-7-methyl-5-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME>
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one

> <PUBCHEM_NIST_INCHI>
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

> <PUBCHEM_NIST_INCHIKEY>
HSMPDPBYAYSOBC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
260.068473

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12O5

> <PUBCHEM_MOLECULAR_WEIGHT>
260.24208

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC

> <PUBCHEM_CACTVS_TPSA>
57.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.068473

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  8  8
10  11  8
12  15  8
13  16  8
14  15  8
2  10  8
2  16  8
6  12  8
6  8  8
6  9  8
7  10  8
7  13  8
7  9  8
8  11  8

$$$$