54677747
  -OEChem-05132401392D

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    7.2482   -0.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    2.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344   -1.4331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0341    2.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.5637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5161   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3982   -1.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    2.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002   -2.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1662    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3501   -2.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918   -3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668   -3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    2.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4314   -4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800    0.1387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256    2.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    0.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2617    3.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8810   -2.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537   -3.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    3.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9073   -3.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    2.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338   -4.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    3.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    4.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    3.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 18  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  1  0  0  0  0
  4 43  1  0  0  0  0
  5 16  2  0  0  0  0
  6 18  2  0  0  0  0
  7 24  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  6  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  2  0  0  0  0
 15 20  1  0  0  0  0
 17 22  2  0  0  0  0
 17 34  1  0  0  0  0
 19 26  2  0  0  0  0
 20 23  1  0  0  0  0
 20 27  2  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 29  2  0  0  0  0
 25 28  1  0  0  0  0
 25 37  1  0  0  0  0
 26 30  1  0  0  0  0
 26 38  1  0  0  0  0
 27 31  1  0  0  0  0
 27 39  1  0  0  0  0
 28 30  2  0  0  0  0
 28 40  1  0  0  0  0
 29 32  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 32  2  0  0  0  0
 31 44  1  0  0  0  0
 32 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54677747

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
889

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACRUAAAGgAACAAADQSAmAAwDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJzKGMRqCeiClwBUIuQeI7vzOoAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(7R)-10-hydroxy-7-(4-hydroxy-2-oxo-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
(7R)-10-hydroxy-7-(4-hydroxy-2-oxo-1-benzopyran-3-yl)-7H-[1]benzopyrano[3,2-c][1]benzopyran-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(7<I>R</I>)-10-hydroxy-7-(4-hydroxy-2-oxochromen-3-yl)-7<I>H</I>-chromeno[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_NAME>
(7R)-10-hydroxy-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7R)-10-oxidanyl-7-(4-oxidanyl-2-oxidanylidene-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7R)-10-hydroxy-7-(4-hydroxy-2-keto-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H14O7/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,26-27H/t19-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AFUYGYGEPFCEIX-LJQANCHMSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
426.07395278

> <PUBCHEM_MOLECULAR_FORMULA>
C25H14O7

> <PUBCHEM_MOLECULAR_WEIGHT>
426.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)O2)C3C4=C(C=C(C=C4)O)OC5=C3C(=O)OC6=CC=CC=C65)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)O2)[C@H]3C4=C(C=C(C=C4)O)OC5=C3C(=O)OC6=CC=CC=C65)O

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.07395278

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  13  8
10  17  8
11  15  8
11  18  8
12  14  8
13  21  8
14  19  8
14  25  8
15  20  8
17  22  8
19  26  8
2  16  8
2  19  8
20  23  8
20  27  8
21  24  8
22  24  8
23  29  8
25  28  8
26  30  8
27  31  8
28  30  8
29  32  8
3  18  8
3  23  8
31  32  8
8  33  6
9  12  8
9  16  8

$$$$