10429214
  -OEChem-04262410112D

 37 41  0     0  0  0  0  0  0999 V2000
    7.9271   -0.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1832    0.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7192    0.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1832    2.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6752    2.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9367   -2.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    3.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5514   -2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432    0.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8092    0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    1.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8092    1.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8252   -1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432    2.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772    0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772    1.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084   -2.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    2.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751   -1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6835   -2.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7439   -3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432    2.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3532   -0.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2085   -1.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7415   -3.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    2.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6752    2.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295   -3.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242    3.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   -3.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  6 20  1  0  0  0  0
  6 34  1  0  0  0  0
  7 21  1  0  0  0  0
  7 35  1  0  0  0  0
  8 24  1  0  0  0  0
  8 36  1  0  0  0  0
  9 25  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  2  0  0  0  0
 19 21  2  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10429214

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
561

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMECAAAAAACRUAAAGgAACAAACASAkAAwBoAABgCAACBCAAACCAAgIAAAiAAGiIgNJyKGMRqCeCOlwBULuAfAYAwAAQAACAAAQAACAAAQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_CAS_NAME>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_NAME_MARKUP>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_NAME>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H

> <PUBCHEM_IUPAC_INCHIKEY>
LBHQACSAGWCMAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
370.03248189

> <PUBCHEM_MOLECULAR_FORMULA>
C18H10O9

> <PUBCHEM_MOLECULAR_WEIGHT>
370.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O

> <PUBCHEM_CACTVS_TPSA>
138

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.03248189

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
1  10  8
1  15  8
10  11  8
10  12  8
11  13  8
12  14  8
13  16  8
14  16  8
15  18  8
15  20  8
17  19  8
17  22  8
18  23  8
19  21  8
2  11  8
2  17  8
20  26  8
21  27  8
22  25  8
23  24  8
24  26  8
25  27  8
3  12  8
3  18  8
4  13  8
4  19  8

$$$$