20481741
  -OEChem-05102413472D

 30 32  0     0  0  0  0  0  0999 V2000
    6.0682   -0.2500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.8003    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  4 19  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
20481741

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACR9AAAGgAACAAADASAmAAwBsAABkCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWOl4BULuYfK7OzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxyphenyl)chromenylium-3,7-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-3,7-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-hydroxyphenyl)chromenylium-3,7-diol

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxyphenyl)chromenylium-3,7-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)chromenylium-3,7-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-3,7-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4/c16-11-4-1-9(2-5-11)15-13(18)7-10-3-6-12(17)8-14(10)19-15/h1-8H,(H2-,16,17,18)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
ZGQPDIBIQDDUNF-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
255.06573383

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11O4+

> <PUBCHEM_MOLECULAR_WEIGHT>
255.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=C(C=C3C=CC(=CC3=[O+]2)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=C(C=C3C=CC(=CC3=[O+]2)O)O)O

> <PUBCHEM_CACTVS_TPSA>
61.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.06573383

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  6  8
1  7  8
11  16  8
12  15  8
13  17  8
14  18  8
15  16  8
17  19  8
18  19  8
5  10  8
5  11  8
5  7  8
6  9  8
7  12  8
8  13  8
8  14  8
9  10  8

$$$$