441648
  -OEChem-05142416232D

 32 34  0     0  0  0  0  0  0999 V2000
    6.0290   -0.6126    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.7991    1.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -2.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594   -2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273   -1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571   -1.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570   -2.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7967    2.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3890   -2.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5 16  1  0  0  0  0
  5 31  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
441648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
356

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACR9AAAGgAACAAADASAmAAwBsAABkCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWOl4BULuYfK7PzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)chromenylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,6,7-tetrol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
VGONRPRFJVEJKB-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
287.05556307

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11O6+

> <PUBCHEM_MOLECULAR_WEIGHT>
287.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=C(C=C3C(=[O+]2)C=C(C(=C3O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=C(C=C3C(=[O+]2)C=C(C(=C3O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.05556307

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  8  8
1  9  8
10  11  8
12  15  8
13  17  8
13  18  8
14  16  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8
7  10  8
7  12  8
7  8  8
8  14  8
9  11  8

$$$$