441777
  -OEChem-05251301252D

 38 40  0     0  0  0  0  0  0999 V2000
    6.8671    0.1754    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -2.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    0.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -3.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9572   -0.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8033   -0.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5731    0.2410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    2.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    3.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 11  1  0  0  0  0
  2 30  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
441777

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
391

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACR9AAAGgAACAAADASAmAIyBsAABkCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWOl4BULuYfK7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromenylium-3,5-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyrylium-3,5-diol

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-1-benzopyrylium-3,5-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
GNONHFYAESLOCB-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
315.086863

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15O6+

> <PUBCHEM_MOLECULAR_WEIGHT>
315.2974

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=[O+]C(=C(C=C2C(=C1)O)O)C3=CC(=C(C=C3)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=[O+]C(=C(C=C2C(=C1)O)O)C3=CC(=C(C=C3)O)OC

> <PUBCHEM_CACTVS_TPSA>
80.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.086863

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
69

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$