44151023
  -OEChem-04292400152D

 32 35  0     0  0  0  0  0  0999 V2000
    5.6783   -1.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8223    0.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182    1.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5352    1.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1888   -0.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -1.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4840   -0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   -1.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1313   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   -1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7688   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1534   -0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859   -2.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973    1.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812   -1.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3486   -2.5434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5629   -0.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9753   -2.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191    2.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234    2.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    2.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6557   -2.3308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  2  0  0  0  0
  5 18  1  0  0  0  0
  5 28  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  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 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 17 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44151023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiR9AAAGgAACAAADASAmAIyDsAABkCIAqDSCAACCAAkIAAIiAEGiMgNJzaONRqCe2Ol4BULuYfL7PzOoQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,9-dihydroxy-8-methoxy-benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,9-dihydroxy-8-methoxy-6-benzofuro[3,2-c][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,9-dihydroxy-8-methoxy-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
3,9-dihydroxy-8-methoxy-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methoxy-3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,9-dihydroxy-8-methoxy-benzofuro[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10O6/c1-20-13-5-9-12(6-10(13)18)21-15-8-3-2-7(17)4-11(8)22-16(19)14(9)15/h2-6,17-18H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MQORJFLPGOCLDS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
298.04773803

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10O6

> <PUBCHEM_MOLECULAR_WEIGHT>
298.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O

> <PUBCHEM_CACTVS_TPSA>
89.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.04773803

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

$$$$
