124052
  -OEChem-04262410152D

 44 47  0     1  0  0  0  0  0999 V2000
    5.6500    0.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -2.6678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1783   -0.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9219    2.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    0.4153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4420   -0.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5480    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180    0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -2.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -2.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1821    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -3.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0501    0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1898    2.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0539    1.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1837   -0.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6466   -1.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0537   -0.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453    1.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1470    1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690   -2.4432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    0.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -3.2532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643   -0.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    2.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -1.5378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -2.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652   -2.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415   -3.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5858    0.5932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    3.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140   -0.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9243    3.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
  4 24  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  6  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
124052

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACRQAAAGgAACAAADUSgmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAfA4PwOoAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f][1]benzopyran-3-yl]benzene-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(3<I>R</I>)-8,8-dimethyl-3,4-dihydro-2<I>H</I>-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

> <PUBCHEM_IUPAC_NAME>
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]resorcinol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LBQIJVLKGVZRIW-ZDUSSCGKSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
324.13615911

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20O4

> <PUBCHEM_MOLECULAR_WEIGHT>
324.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C

> <PUBCHEM_CACTVS_TPSA>
58.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
324.13615911

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  13  8
11  18  8
11  19  8
13  16  8
14  16  8
18  22  8
19  23  8
22  24  8
23  24  8
5  25  6
7  14  8
7  9  8
9  10  8

$$$$