70683923
  -OEChem-04252400272D

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    6.0682    3.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    3.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9343    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3083    0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2634   -0.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7969    1.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3154   -0.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -1.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    2.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6865    0.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3065    1.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7504    2.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6243   -3.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3973   -4.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2443   -4.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3563   -4.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 42  1  0  0  0  0
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  3 32  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 59  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 33  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70683923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
743

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAAiAFGCMgMJzaGNR6CeWCl4BUIuQfI7OzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-methoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-methoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3,5-bis(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-3-methoxy-5,7-bis(oxidanyl)chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-methoxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H28O6/c1-14(2)6-8-16-10-18(11-17(23(16)29)9-7-15(3)4)25-26(31-5)24(30)22-20(28)12-19(27)13-21(22)32-25/h6-7,10-13,27-29H,8-9H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
OABSCYOEXNPPTI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
436.18858861

> <PUBCHEM_MOLECULAR_FORMULA>
C26H28O6

> <PUBCHEM_MOLECULAR_WEIGHT>
436.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C

> <PUBCHEM_CACTVS_TPSA>
96.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.18858861

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  13  8
1  18  8
13  16  8
16  19  8
17  18  8
17  19  8
17  22  8
18  23  8
22  27  8
23  26  8
26  27  8
7  10  8
7  11  8
8  10  8
8  12  8
9  11  8
9  12  8

$$$$