511358
  -OEChem-04292400152D

 35 37  0     1  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
    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  3  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
    3.7702   -0.9480    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
    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
    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
    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
    5.8592    1.2073    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
    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
    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
    5.5301    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 33  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
511358

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
458

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAACAAADBSgmAIyDsAABkCIAqjSiAACCAAkIAAIiAEGCMgNNzaENRqCe2Cl4BULuYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2-hydroxy-3-methyl-but-3-enoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2-hydroxy-3-methylbut-3-enoxy)-7-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_NAME>
4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3-methyl-2-oxidanyl-but-3-enoxy)furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-hydroxy-3-methyl-but-3-enoxy)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/h3-7,12,17H,1,8H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BVMOMQJYQYBMKL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
286.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

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

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

> <PUBCHEM_CACTVS_TPSA>
68.9

> <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>
1

> <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  13  8
14  17  8
15  18  8
18  19  8
2  17  8
2  9  8
3  10  8
3  19  8
12  4  3
6  7  8
6  8  8
7  14  8
7  9  8
8  10  8
8  15  8
9  13  8

$$$$
