71464651
  -OEChem-05132410502D

 29 29  0     1  0  0  0  0  0999 V2000
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    0.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  8  2  1  1  0  0  0
  2 24  1  0  0  0  0
 10  3  1  6  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  2  0  0  0  0
  7  6  1  1  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  1  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71464651

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
222

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAHQAAHFgCXAAHgYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-methyl-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-methyl-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2R,3R,4S,5R)-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(2R,3R,4S,5R)-4,5,6-trihydroxy-2-methyl-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5+,6+,7-,8?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LMIZXKMXHCOVTQ-SUVUXTLLSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
205.09502258

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
205.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(C(O1)O)O)O)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
99

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
205.09502258

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  2  5
10  3  6
11  4  3
7  6  5
9  12  5

$$$$