728528
  -OEChem-05052414422D

 30 32  0     0  0  0  0  0  0999 V2000
    8.8067   -0.9507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769   -0.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    0.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128   -0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.5361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    0.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485    0.9168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4151    2.1257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7880    2.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1752    2.1113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.6849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  2  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
728528

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
442

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAACBwAAAGgAAAAAADASgmAIyDoAABECIAqjSiAICCAAkIAAIiAFGCMgNJzKENR6COyClwBUKqYeI5qwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-methyl-2-oxo-chromen-7-yl) furan-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-furancarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furan-2-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
WVAYNWNBGPUATF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.1

> <PUBCHEM_EXACT_MASS>
270.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
270.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
65.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.05282342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  15  8
1  7  8
10  11  8
11  12  8
13  15  8
17  18  8
18  19  8
19  20  8
3  17  8
3  20  8
6  7  8
6  8  8
6  9  8
7  10  8
8  13  8
9  12  8

$$$$