441658
  -OEChem-05012417162D

 42 44  0     0  0  0  0  0  0999 V2000
    6.0682   -0.2723    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.3198    2.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    1.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    3.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -3.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -0.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    2.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    3.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9263    3.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435    2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    1.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7784    1.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4903   -2.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -3.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103   -3.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  1  0  0  0  0
  3 31  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  1  0  0  0  0
  5 25  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7 22  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
441658

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACR9AAAGgAACAAADASAmAIyBsAABkCIAqBSAAICCAAkIAAAiAFGiMgNJzaGNRqCeWOl4BULuYfK7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
GYLVPQXQQPMCKK-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
345.09742788

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17O7+

> <PUBCHEM_MOLECULAR_WEIGHT>
345.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC)O

> <PUBCHEM_CACTVS_TPSA>
89.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
345.09742788

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  9  8
10  17  8
11  15  8
11  16  8
12  13  8
14  20  8
15  19  8
16  18  8
17  21  8
18  22  8
19  22  8
20  21  8
8  10  8
8  13  8
8  14  8
9  12  8

$$$$