58854937
  -OEChem-05092413372D

 13  0  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8660    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58854937

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
yttrium

> <PUBCHEM_IUPAC_NAME>
yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/13Y

> <PUBCHEM_IUPAC_INCHIKEY>
PDQGJBHHMNVXOM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
1155.77590

> <PUBCHEM_MOLECULAR_FORMULA>
Y13

> <PUBCHEM_MOLECULAR_WEIGHT>
1155.7759

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1155.77590

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
13

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6
1  12  6
1  13  6
1  2  6
1  3  6
1  4  6
1  5  6
1  6  6
1  7  6
1  8  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$