44258295
  -OEChem-04282423202D

 55 58  0     0  0  0  0  0  0999 V2000
   10.4263   -2.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    1.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3324   -2.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -2.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3324   -1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4263   -0.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3324   -2.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8290   -3.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    3.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8681   -0.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4191   -0.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3300   -2.9503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9524   -2.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3347   -1.7103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2909   -3.5023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369   -3.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671   -2.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -3.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0124    0.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    0.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634    2.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.5273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    3.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    3.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0463    3.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2224    1.1574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    1.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8424    2.2313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    2.0452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 46  1  0  0  0  0
  4 22  2  0  0  0  0
  5 24  1  0  0  0  0
  5 54  1  0  0  0  0
  6 28  1  0  0  0  0
  6 55  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 32  1  0  0  0  0
 12 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 29  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44258295

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
805

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADESAmAAyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7OzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(3-methylbut-2-enyl)chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3-(3-methylbut-2-enyl)-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(3-methylbut-2-enyl)chromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(3-methylbut-2-enyl)chromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(3-methylbut-2-enyl)chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H24O6/c1-13(2)5-6-17-23(29)21-18(27)11-14(26)12-20(21)30-24(17)16-7-8-19-15(22(16)28)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GHYDRKXFHRBWGZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
420.15728848

> <PUBCHEM_MOLECULAR_FORMULA>
C25H24O6

> <PUBCHEM_MOLECULAR_WEIGHT>
420.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C

> <PUBCHEM_CACTVS_TPSA>
96.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
420.15728848

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  13  8
10  19  8
12  15  8
15  22  8
18  19  8
2  12  8
2  23  8
21  22  8
21  23  8
21  24  8
23  26  8
24  27  8
26  28  8
27  28  8
8  13  8
8  9  8
9  18  8

$$$$
