100633
  -OEChem-05122404132D

 34 37  0     0  0  0  0  0  0999 V2000
    4.3798   -0.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -3.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    0.2605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -1.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719   -1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799   -0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4060    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1381    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1342    2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120   -0.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -0.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762    1.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    3.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700    3.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5999   -0.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4477   -0.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240    0.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
100633

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAEiB9AAAGgAAAAAADASgmAIyBsAABECIAqhSgAICCAAkIAAIiAFGCMgMJzaENR6COWCl4BUIqYfK7vzuIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-methoxy-2-phenyl-4-furo[2,3-h][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one

> <PUBCHEM_IUPAC_NAME>
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methoxy-2-phenyl-furo[2,3-h]chromen-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LKPQNZRGGNOPPU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
292.07355886

> <PUBCHEM_MOLECULAR_FORMULA>
C18H12O4

> <PUBCHEM_MOLECULAR_WEIGHT>
292.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
48.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.07355886

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  5  8
1  9  8
10  11  8
12  13  8
14  17  8
14  18  8
15  16  8
17  19  8
18  20  8
19  21  8
2  16  8
2  8  8
20  21  8
5  6  8
5  7  8
6  10  8
6  12  8
7  15  8
7  8  8
8  13  8
9  11  8

$$$$