5380406
  -OEChem-04282422562D

 24 26  0     0  0  0  0  0  0999 V2000
    6.0682   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    1.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3776   -0.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    1.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5380406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADASAmAAwDoAABgCIAiDSCAACCAAkIAAIiAEGCMgMJzKGNRqCeyClwBUIuYeI7PzOoAAACAAYAABAAAAQADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-hydroxybenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-hydroxy-6-benzo[c][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-hydroxybenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
3-hydroxybenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-oxidanylbenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-hydroxybenzo[c]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H

> <PUBCHEM_IUPAC_INCHIKEY>
WXUQMTRHPNOXBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
212.047344113

> <PUBCHEM_MOLECULAR_FORMULA>
C13H8O3

> <PUBCHEM_MOLECULAR_WEIGHT>
212.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.047344113

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  10  8
1  7  8
11  14  8
12  16  8
13  14  8
15  16  8
4  5  8
4  6  8
4  9  8
5  7  8
5  8  8
6  10  8
6  12  8
7  11  8
8  13  8
9  15  8

$$$$
