5585
  -OEChem-04192416402D

 29 31  0     0  0  0  0  0  0999 V2000
    7.3424    0.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -2.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017   -2.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260   -0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5460    0.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5585

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASAmAAyDsAABECIAqDSCAACCAAkIAAAiAEGCMgMJzaENRqCO2Cl4BUIqYeI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,5,9-trimethylfuro[3,2-g]chromen-7-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,5,9-trimethylfuro[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_NAME>
2,5,9-trimethylfuro[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,5,9-trimethylfuro[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,5,9-trimethylfuro[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
FMHHVULEAZTJMA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
228.078644241

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12O3

> <PUBCHEM_MOLECULAR_WEIGHT>
228.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.078644241

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  6  8
10  14  8
11  12  8
14  16  8
2  16  8
2  8  8
4  10  8
4  8  8
4  9  8
5  11  8
5  6  8
5  9  8
6  7  8
7  8  8

$$$$