11300144
  -OEChem-04292400352D

 32 34  0     0  0  0  0  0  0999 V2000
    2.9176    1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -1.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -1.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082   -0.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    2.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    2.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 29  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11300144

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
419

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJjaGNRqAcWAk4BEIuYeL6PyOwAADAAAYAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hydroxy-8-methoxy-3-methyl-anthracene-9,10-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione

> <PUBCHEM_IUPAC_NAME>
1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-methoxy-3-methyl-1-oxidanyl-anthracene-9,10-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-hydroxy-8-methoxy-3-methyl-9,10-anthraquinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)20-2/h3-7,17H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HOGWLZYYLVDAOW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
268.07355886

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12O4

> <PUBCHEM_MOLECULAR_WEIGHT>
268.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC

> <PUBCHEM_CACTVS_TPSA>
63.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.07355886

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

$$$$
