5688257
  -OEChem-04252411132D

 25 26  0     0  0  0  0  0  0999 V2000
    6.0682    0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -2.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    0.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712   -0.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -0.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    0.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449    1.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543    2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3143    2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5688257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACCAAgIAAIiAAGCMgMJyKGMRqCeiClwBUIuQeA4CwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-ethoxy-7-hydroxy-chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-ethoxy-7-hydroxy-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-ethoxy-7-hydroxychromen-2-one

> <PUBCHEM_IUPAC_NAME>
4-ethoxy-7-hydroxychromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-ethoxy-7-oxidanyl-chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-ethoxy-7-hydroxy-coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10O4/c1-2-14-9-6-11(13)15-10-5-7(12)3-4-8(9)10/h3-6,12H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
AOSUUEBGVYZPMS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
206.05790880

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10O4

> <PUBCHEM_MOLECULAR_WEIGHT>
206.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC(=O)OC2=C1C=CC(=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC(=O)OC2=C1C=CC(=C2)O

> <PUBCHEM_CACTVS_TPSA>
55.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.05790880

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
10  14  8
11  12  8
2  14  8
2  6  8
5  6  8
5  7  8
5  8  8
6  9  8
7  10  8
8  11  8
9  12  8

$$$$