5471349
  -OEChem-05112418562D

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    7.3424   -4.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -4.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5301   -4.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -2.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6516    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3402    1.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7388    2.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067   -0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -5.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350   -2.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    3.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8182   -0.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    0.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -3.4827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -2.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6142    4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3742    4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    2.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    2.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1703    3.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
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 11 28  1  0  0  0  0
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 18 21  2  0  0  0  0
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 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5471349

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
570

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIyDsAABECIAqjSiAACCAAkIAAIiAEGCMgMJzaENRqCO2Cl4BUIqYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(2<I>E</I>)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_NAME>
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+

> <PUBCHEM_IUPAC_INCHIKEY>
DBMJZOMNXBSRED-OQLLNIDSSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
338.15180918

> <PUBCHEM_MOLECULAR_FORMULA>
C21H22O4

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C

> <PUBCHEM_CACTVS_TPSA>
48.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.15180918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  14  8
12  14  8
16  20  8
17  22  8
2  10  8
2  20  8
22  23  8
3  12  8
3  23  8
5  6  8
5  8  8
6  10  8
6  16  8
8  12  8
8  17  8

$$$$