199214
  -OEChem-04262405562D

 33 34  0     1  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
    6.3580   -0.8797    0.0000 C   0  0  3  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
    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
    7.2641    0.6758    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
    6.3465   -1.8796    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
    6.8920   -1.1948    0.0000 H   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
    7.7998   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265   -1.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393   -2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664   -1.8868    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 27  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  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 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  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 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  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
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
199214

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
236

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQCAAADCzBmAYyBoLABgCAAiBCAACCCAAgIAAAiIAOjIgNJyKGsRuEcCtn0BWLuAew8L8OoAABCAAYQABAAAIQADCAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PRNZAMQMBOFSJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
223.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
223.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2=C(C(=C(C=C2CCN1)OC)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2=C(C(=C(C=C2CCN1)OC)OC)O

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
223.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
12  14  8
13  14  8
5  11  3
6  10  8
6  7  8
7  12  8

$$$$