59043205
  -OEChem-04232408242D

 16 14  0     1  0  0  0  0  0999 V2000
    4.2690   -1.5000    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7  6  1  6  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
59043205

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
137

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1R)-1,2-dicarboxyethyl]azanide;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
[(1R)-1,2-dicarboxyethyl]azanide;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(1<I>R</I>)-1,2-dicarboxyethyl]azanide;yttrium

> <PUBCHEM_IUPAC_NAME>
[(1R)-1,2-dicarboxyethyl]azanide;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanide;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1R)-1,2-dicarboxyethyl]azanide;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6NO4.Y/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q-1;/t2-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
VATNHMZDKMMWFT-HSHFZTNMSA-N

> <PUBCHEM_EXACT_MASS>
220.935521

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6NO4Y-

> <PUBCHEM_MOLECULAR_WEIGHT>
221.00

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)O)[NH-])C(=O)O.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@H](C(=O)O)[NH-])C(=O)O.[Y]

> <PUBCHEM_CACTVS_TPSA>
75.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.935521

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  6  6

$$$$