390049
  -OEChem-05072423462D

 53 57  0     1  0  0  0  0  0999 V2000
    5.5022   -2.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744   -0.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744   -2.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    2.5060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    2.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    3.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -0.4738    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3961   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138    0.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3855    1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3971    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    2.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580   -1.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -3.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -4.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -3.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    3.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9332    2.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6883    4.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9683   -0.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -0.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -3.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    0.7324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    0.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -1.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1189   -1.0937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740   -3.8405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -1.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -4.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -3.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9003    3.4988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    4.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604    3.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294    2.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    1.7523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0044    4.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    4.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3721    3.5026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 29  1  0  0  0  0
  5 21  1  0  0  0  0
  5 30  1  0  0  0  0
  6 22  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  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>
390049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
618

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAEiBUAAAGgAAAAAADQSAmAMyDoAABACAAiBCAAACCAAgIAAIiAAGiIgdJyKEMRqiOCKlwBUOqAfA4PwOoQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene

> <PUBCHEM_IUPAC_CAS_NAME>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g][1]benzopyran

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8<I>H</I>-[1,3]dioxolo[4,5-g]chromene

> <PUBCHEM_IUPAC_NAME>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-phenyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H22O6/c1-26-23-9-16(10-24(27-2)25(23)28-3)17-11-19(15-7-5-4-6-8-15)31-20-13-22-21(12-18(17)20)29-14-30-22/h4-13,17H,14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
KFDCXQCCGHOTLJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
418.14163842

> <PUBCHEM_MOLECULAR_FORMULA>
C25H22O6

> <PUBCHEM_MOLECULAR_WEIGHT>
418.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C2C=C(OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)C2C=C(OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
418.14163842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  15  8
12  14  8
14  16  8
15  16  8
17  21  8
18  20  8
19  24  8
19  25  8
20  22  8
21  22  8
24  26  8
25  27  8
26  28  8
27  28  8
7  9  3
8  10  8
8  12  8
9  17  8
9  18  8

$$$$