14018346
  -OEChem-04282423362D

 38 41  0     1  0  0  0  0  0999 V2000
    4.6419    0.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239   -1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -0.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400   -0.8402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1442    0.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3861    3.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419   -0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -0.8471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5240   -1.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -0.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080    1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2840    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    2.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4919    2.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -2.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3899    2.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176   -3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927   -3.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    2.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -0.2271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9514    2.5051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068   -2.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0795   -3.8024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0332   -3.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5596   -4.6570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981    3.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520    3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -0.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -1.1308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6847    0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8480    4.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  2  0  0  0  0
  5 15  1  0  0  0  0
  5 37  1  0  0  0  0
  6 19  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 21  1  0  0  0  0
 18 27  1  0  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14018346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACRQAAAGgAACAAADASwmAMyDoAABgCIAqBSAAACCAAkIAAIiAEGCMgdJzaGNRqieWCl4BUOuQeK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

> <PUBCHEM_IUPAC_CAS_NAME>
9,11-dihydroxy-6-methoxy-10-methyl-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
9,11-dihydroxy-6-methoxy-10-methyl-6<I>H</I>-chromeno[3,4-b]chromen-12-one

> <PUBCHEM_IUPAC_NAME>
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methoxy-10-methyl-9,11-bis(oxidanyl)-6H-chromeno[3,4-b]chromen-12-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
TXTGITRXQUOAJM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
326.07903816

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14O6

> <PUBCHEM_MOLECULAR_WEIGHT>
326.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O

> <PUBCHEM_CACTVS_TPSA>
85.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.07903816

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1  13  8
1  8  8
10  14  8
10  18  8
11  12  8
11  13  8
11  15  8
13  17  8
14  20  8
15  16  8
16  19  8
17  19  8
18  21  8
20  22  8
21  22  8
9  3  3
7  12  8
7  8  8

$$$$
