59026338
  -OEChem-05132412572D

 23 23  0     0  0  0  0  0  0999 V2000
    5.5321    2.0600    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59026338

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAgAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAAywILAAgCIAiVSUACCAAAhIgAIiAEAbMgIJiLAkZGEcAhm1AHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-3-methyl-1<I>H</I>-quinolin-2-one;yttrium

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-4-oxidanyl-1H-quinolin-2-one;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-3-methyl-carbostyril;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9NO2.Y/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13;/h2-5H,1H3,(H2,11,12,13);

> <PUBCHEM_IUPAC_INCHIKEY>
BLEUMJUWSQGLKM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
263.969167

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9NO2Y

> <PUBCHEM_MOLECULAR_WEIGHT>
264.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=CC=CC=C2NC1=O)O.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=CC=CC=C2NC1=O)O.[Y]

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.969167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  14  8
4  6  8
4  9  8
5  10  8
5  6  8
5  7  8
6  11  8
7  8  8
8  9  8

$$$$