5281406
  -OEChem-05052406242D

 38 41  0     0  0  0  0  0  0999 V2000
    7.2622   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382    2.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    3.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    3.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1442    3.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    3.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.3079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    3.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    4.2267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -3.6067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    0.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    0.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  5 35  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 19 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
640

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADASAmAIyDoAABgCIAiDSCAICCAAgIAAIiABGiMgNJyKGMR6CeiOlwBULuYfA4DwOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxy-chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-hydroxy-6-methoxy-3-[(2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one

> <PUBCHEM_IUPAC_NAME>
7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-7-oxidanyl-3-(2-oxidanylidenechromen-7-yl)oxy-chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-3-(2-ketochromen-7-yl)oxy-6-methoxy-coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
JRHMMVBOTXEHGJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
352.05830272

> <PUBCHEM_MOLECULAR_FORMULA>
C19H12O7

> <PUBCHEM_MOLECULAR_WEIGHT>
352.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O

> <PUBCHEM_CACTVS_TPSA>
91.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.05830272

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
10  11  8
11  20  8
12  17  8
13  19  8
13  21  8
14  15  8
14  22  8
14  23  8
15  19  8
16  18  8
17  18  8
2  20  8
2  9  8
21  22  8
23  24  8
24  25  8
3  15  8
3  25  8
8  10  8
8  12  8
8  9  8
9  16  8

$$$$