623060
  -OEChem-04282423322D

 34 37  0     1  0  0  0  0  0999 V2000
    6.1621   -0.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3061    1.3457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    0.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457   -0.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6589    0.8105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9679   -0.1406    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6648    0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9460   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584   -0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6152    0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9832    1.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2526   -1.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6372    0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    1.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2698   -1.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9668   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060    1.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0960   -0.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5602    2.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    1.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1811    2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8324   -1.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.9615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    0.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554    1.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4591   -2.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396   -1.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    1.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    1.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
623060

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiRQAAAGgAACAAADRSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAfA4PwOoAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
9-methoxy-6<I>a</I>,11<I>a</I>-dihydro-6<I>H</I>-[1]benzofuro[3,2-c]chromen-3-ol

> <PUBCHEM_IUPAC_NAME>
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
NSRJSISNDPOJOP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
270.08920892

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O4

> <PUBCHEM_MOLECULAR_WEIGHT>
270.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O

> <PUBCHEM_CACTVS_TPSA>
47.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.08920892

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
6  1  3
10  14  8
11  15  8
12  16  8
13  18  8
14  17  8
15  19  8
16  17  8
18  19  8
5  8  3
7  10  8
7  12  8
9  11  8
9  13  8

$$$$
