44572330
  -OEChem-04292400052D

 34 36  0     0  0  0  0  0  0999 V2000
    3.7817    0.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    2.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -2.0242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.8342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8395   -0.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.8688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.3813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7179    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377    1.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    1.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6054    0.7970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -2.8584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5844    2.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    3.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603    3.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  1  0  0  0  0
  3 27  1  0  0  0  0
  4 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 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>
44572330

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
334

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAACAAADASAmAIyBsAABgCAAiBCAAACCAAgIAAIiAAGiIgNJyKGMRqAcCMlwBULuAeA4PwO4AADCAAYQADAAAYQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_CAS_NAME>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_NAME>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,5-dimethoxyphenanthrene-2,7-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YKFWCNBTQYCJQV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
270.08920892

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O4

> <PUBCHEM_MOLECULAR_WEIGHT>
270.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2C(=CC(=C1)O)C=CC3=CC(=C(C=C32)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2C(=CC(=C1)O)C=CC3=CC(=C(C=C32)OC)O

> <PUBCHEM_CACTVS_TPSA>
58.9

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

$$$$
