301798
  -OEChem-05072413262D

 35 37  0     1  0  0  0  0  0999 V2000
    5.4920   -0.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804    2.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544   -2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4087    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -1.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9356   -0.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0089    0.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6071    1.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325    0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202   -2.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.5751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200   -3.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   -2.1142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 33  1  0  0  0  0
  4 15  1  0  0  0  0
  4 34  1  0  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
301798

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADBSgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7OzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-chroman-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one

> <PUBCHEM_IUPAC_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)-6-methyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-chroman-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SLFZBNOERHGNMI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
286.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  16  8
11  17  8
12  13  8
13  15  8
14  15  8
16  19  8
17  20  8
19  21  8
20  21  8
6  11  3
8  12  8
8  9  8
9  14  8

$$$$