67740684
  -OEChem-05042406152D

 29 28  0     1  0  0  0  0  0999 V2000
    4.0010    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    7.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1713    7.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1350    1.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    3.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4030    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373    7.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    1.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    1.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4403    7.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 24  1  0  0  0  0
 10  2  1  1  0  0  0
  2 25  1  0  0  0  0
 11  3  1  6  0  0  0
  3 26  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  1  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67740684

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
142

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACDzhgAcACALAAgAIAAAAiAAAAAAAAAAAAIAIAAADEAIAgAAEQAAHEACRAAHwYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
formic acid;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
formic acid;(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>)-2-(hydroxymethyl)piperidine-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
formic acid;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;methanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid;(2R,3R,4R,5S)-2-methylolpiperidine-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13NO4.CH2O2/c8-2-3-5(10)6(11)4(9)1-7-3;2-1-3/h3-11H,1-2H2;1H,(H,2,3)/t3-,4+,5-,6-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
UWRNOPVOPXDTGY-VFQQELCFSA-N

> <PUBCHEM_EXACT_MASS>
209.08993720

> <PUBCHEM_MOLECULAR_FORMULA>
C7H15NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
209.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(C(C(N1)CO)O)O)O.C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O.C(=O)O

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.08993720

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  1  6
10  2  5
11  3  6
9  13  5

$$$$