65090
  -OEChem-05302104182D

 21 23  0     0  0  0  0  0  0999 V2000
    7.3424    0.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -2.0317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -0.6377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  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 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65090

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAACAAADASgmAIwDsAABkCIAqjSiAICCAAkIAAIiAFGiMgNJzaGNRqCe2Ol4BULuYeI7PzOIAADCAAIQABAAAYQABCAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H

> <PUBCHEM_IUPAC_INCHIKEY>
JWVYQQGERKEAHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.6

> <PUBCHEM_EXACT_MASS>
202.02660867

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
202.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

> <PUBCHEM_CACTVS_TPSA>
59.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.02660867

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  13  8
1  7  8
11  13  8
12  14  8
14  15  8
2  15  8
2  8  8
5  11  8
5  7  8
5  9  8
6  12  8
6  8  8
6  9  8
7  10  8
8  10  8

$$$$
