2930792
  -OEChem-04242411262D

 52 56  0     0  0  0  0  0  0999 V2000
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    4.3154   -1.5233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.4617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5960   -4.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9353    2.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 23  1  0  0  0  0
  2 29  1  0  0  0  0
  3 22  1  0  0  0  0
  3 46  1  0  0  0  0
  4 24  1  0  0  0  0
  4 49  1  0  0  0  0
  5 25  1  0  0  0  0
  5 50  1  0  0  0  0
  6 26  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 22  1  0  0  0  0
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 17 37  1  0  0  0  0
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 19 25  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  1  0  0  0  0
 20 40  1  0  0  0  0
 21 27  2  0  0  0  0
 21 41  1  0  0  0  0
 22 25  2  0  0  0  0
 23 28  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 47  1  0  0  0  0
 32 34  2  0  0  0  0
 32 48  1  0  0  0  0
 33 35  2  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 34 52  1  0  0  0  0
M  CHG  2   7  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
2930792

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
942

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBUAAAHgAECAAADAyhmAIwxoAQRgCJAqRSQwKCCAAgIgAoiABG7MoNJyKGsZuCeCHlwBUJ+YfQ8P0OKQABCAAIQABSAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]xanthen-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]-3-xanthenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]xanthen-3-one

> <PUBCHEM_IUPAC_NAME>
2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]xanthen-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-[3-[(4-nitrophenyl)methoxy]phenyl]-2,6,7-tris(oxidanyl)xanthen-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6,7-trihydroxy-9-[3-(4-nitrobenzyl)oxyphenyl]fluorone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H17NO8/c28-20-9-18-24(11-22(20)30)35-25-12-23(31)21(29)10-19(25)26(18)15-2-1-3-17(8-15)34-13-14-4-6-16(7-5-14)27(32)33/h1-12,28-30H,13H2

> <PUBCHEM_IUPAC_INCHIKEY>
SNXZNINDNDNFPX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
471.09541650

> <PUBCHEM_MOLECULAR_FORMULA>
C26H17NO8

> <PUBCHEM_MOLECULAR_WEIGHT>
471.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O

> <PUBCHEM_CACTVS_TPSA>
142

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
471.09541650

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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  14  8
1  15  8
10  11  8
10  12  8
11  14  8
11  16  8
12  17  8
13  18  8
13  21  8
14  19  8
15  20  8
16  22  8
17  24  8
18  23  8
19  25  8
20  26  8
21  27  8
22  25  8
23  28  8
24  26  8
27  28  8
30  31  8
30  32  8
31  33  8
32  34  8
33  35  8
34  35  8

$$$$