5490139
  -OEChem-05142409132D

 41 44  0     0  0  0  0  0  0999 V2000
    3.9061   -1.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   -1.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    1.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4144    1.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7884    1.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -1.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260    0.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321   -1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0641   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1923    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9282    0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0564    1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243    1.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    0.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    1.0819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -0.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -1.7174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652   -1.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415   -2.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -2.1927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678   -1.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    1.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0665   -0.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    1.7594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4663    0.1502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0540    2.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3266    1.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  3 36  1  0  0  0  0
  4 17  2  0  0  0  0
  5 25  1  0  0  0  0
  5 41  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5490139

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
599

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADESgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-6-pyrano[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(4-hydroxyphenyl)-2,2-dimethyl-5-oxidanyl-pyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RQAMSFTXEFSBPK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
336.09977361

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16O5

> <PUBCHEM_MOLECULAR_WEIGHT>
336.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C

> <PUBCHEM_CACTVS_TPSA>
76

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.09977361

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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
10  15  8
10  17  8
15  16  8
17  18  8
18  19  8
2  15  8
2  19  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
7  14  8
7  8  8
8  16  8

$$$$