625383
  -OEChem-04292400132D

 35 37  0     0  0  0  0  0  0999 V2000
    5.5301    0.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -2.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -3.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -0.5886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6422    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8182    0.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    1.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    2.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -1.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  5 21  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
625383

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
456

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADQSgmAIyDsAABECIAqjSiAICCAAkIAAIiAFGCMgMJzaENB6CO2Cl4BUIqYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-methyl-2-oxo-butoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-methyl-2-oxobutoxy)-7-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_NAME>
4-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3-methyl-2-oxidanylidene-butoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-keto-3-methyl-butoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,9H,8H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
USLPJJIUMAKBIU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
286.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

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

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

> <PUBCHEM_CACTVS_TPSA>
65.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  14  8
11  14  8
15  19  8
18  20  8
2  10  8
2  19  8
20  21  8
3  11  8
3  21  8
6  7  8
6  9  8
7  10  8
7  15  8
9  11  8
9  18  8

$$$$
