621572
  -OEChem-05122423192D

 32 34  0     0  0  0  0  0  0999 V2000
    5.1738   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1854    2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -0.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3297    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9497    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -1.5006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -1.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1098    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4898    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4898   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1098   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  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 20  1  0  0  0  0
  5 13  2  0  0  0  0
  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
621572

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAACAAADASgmAIyBsAABkCIAqhSgAICCAAkIAAIiAFGiMgNNzaENR6COWKl4BULuYfK7vzuIQADCAAIQABCAAYQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(hydroxymethyl)-4,9-dimethoxy-furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-(hydroxymethyl)-4,9-dimethoxy-5-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_NAME>
7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(hydroxymethyl)-4,9-dimethoxy-furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,9-dimethoxy-7-methylol-furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-10(11)9(16)5-7(6-15)20-13/h3-5,15H,6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XSKZZVYURGCOGM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
276.06338810

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12O6

> <PUBCHEM_MOLECULAR_WEIGHT>
276.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO

> <PUBCHEM_CACTVS_TPSA>
78.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.06338810

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  15  8
1  9  8
11  12  8
13  16  8
14  17  8
15  16  8
2  11  8
2  17  8
7  10  8
7  13  8
7  9  8
8  10  8
8  11  8
8  14  8
9  12  8

$$$$