25261830
  -OEChem-10112121012D

 36 38  0     0  0  0  0  0  0999 V2000
    8.1663   -0.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    1.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1860    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -1.8431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067   -1.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    1.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    2.4288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7068    0.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484    1.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8060    2.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1884    3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5660    2.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -2.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  2  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25261830

> <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>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAACAAADASAmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJyKGMRqAcCMlwBULuAeA4PwOoAABCAAYQADAAAYQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_NAME>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,7-dimethoxy-9,10-dihydrophenanthrene-1,5-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16O4/c1-19-10-7-9-3-4-12-11(15(9)13(17)8-10)5-6-14(20-2)16(12)18/h5-8,17-18H,3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XCGSVZJXMLVULN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
272.10485899

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16O4

> <PUBCHEM_MOLECULAR_WEIGHT>
272.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3O)OC)O

> <PUBCHEM_CACTVS_TPSA>
58.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.10485899

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

$$$$
