14034284
  -OEChem-09302100092D

 42 44  0     0  0  0  0  0  0999 V2000
    6.3580   -0.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846   -2.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -1.6771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -1.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166   -3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2586   -1.3692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087   -2.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5785   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4246   -3.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520    1.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7344    1.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1120    1.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  3 31  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 22  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  2  0  0  0  0
  7 20  1  0  0  0  0
  7 32  1  0  0  0  0
  8 23  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  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
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14034284

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAAiAEGiMgNJzaGNRqCeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-6-methoxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16O8/c1-23-13-4-8(5-14(24-2)16(13)21)11-6-9(19)15-12(26-11)7-10(20)18(25-3)17(15)22/h4-7,20-22H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
BVRHGBHZAQNORL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
360.08451746

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16O8

> <PUBCHEM_MOLECULAR_WEIGHT>
360.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
360.08451746

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  10  8
1  11  8
10  16  8
11  15  8
12  18  8
12  19  8
13  15  8
14  17  8
16  20  8
17  20  8
18  22  8
19  21  8
21  23  8
22  23  8
9  10  8
9  13  8
9  14  8

$$$$
