2355
 OpenBabel05082101102D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.3424   -1.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    0.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -0.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862    2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
2355

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
325

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIyDsAABECIAqjSiAACCAAkIAAIiAEGCMgMJzaENBqCO2Cl4BUIqYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methoxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_CAS_NAME>
4-methoxy-7-furo[3,2-g][1]benzopyranone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-methoxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_NAME>
4-methoxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methoxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
BGEBZHIAGXMEMV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.3

>  <PUBCHEM_EXACT_MASS>
216.042259

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H8O4

>  <PUBCHEM_MOLECULAR_WEIGHT>
216.19

>  <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

>  <PUBCHEM_CACTVS_TPSA>
48.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.042259

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

$$$$
