44153086
  -OEChem-04262416212D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Ca  0  0  0  0  0 15  0  0  0  0  0  0
M  ISO  1   1  49
M  END
> <PUBCHEM_COMPOUND_CID>
44153086

> <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>
AAADcQAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium-49

> <PUBCHEM_IUPAC_CAS_NAME>
calcium-49

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium-49

> <PUBCHEM_IUPAC_NAME>
calcium-49

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium-49

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium-49

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Ca/i1+9

> <PUBCHEM_IUPAC_INCHIKEY>
OYPRJOBELJOOCE-KUYOKYOWSA-N

> <PUBCHEM_EXACT_MASS>
48.955663

> <PUBCHEM_MOLECULAR_FORMULA>
Ca

> <PUBCHEM_MOLECULAR_WEIGHT>
48.955663

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Ca]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[49Ca]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
48.955663

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
1

> <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>
1

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$