69510
  -OEChem-05221312102D

 30 31  0     0  0  0  0  0  0999 V2000
    4.5981   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517    1.6687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534    1.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732    1.2595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534   -1.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517   -1.3587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69510

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
212

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQCAAADATBmAYyBoLABgCAAiBCAACCCAAgIAAAiIAOjIgNJyKGsRuEcCtn0BWLuAew8L4OoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DVQVXTPSJBCBJI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
209.105193

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
209.2417

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=C2CNCCC2=C1)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=C2CNCCC2=C1)O)OC

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.105193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
5  11  8
5  7  8
7  10  8

$$$$