22958353
  -OEChem-05112414472D

  7  0  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22958353

> <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/7Y

> <PUBCHEM_IUPAC_INCHIKEY>
GAHRMQVKJNMDSQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
622.34087

> <PUBCHEM_MOLECULAR_FORMULA>
Y7

> <PUBCHEM_MOLECULAR_WEIGHT>
622.3409

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
622.34087

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6
1  4  6
1  5  6
1  6  6
1  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$