Ketcher 01052215272D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
   11.0434   -8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094   -5.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1774   -5.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755   -8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4453   -6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5075   -7.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434   -7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094   -6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1774   -6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755   -7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114   -7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6415   -6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1     0  0
  8  2  1  1     0  0
  9  3  1  1     0  0
 10  4  1  1     0  0
  5 11  1  0     0  0
  6 12  2  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
M  END
> <ID>
CHEBI:188986

> <NAME>
aldehydo-D-idose

> <DEFINITION>
The open chain form of D-idose.

> <STAR>
3

> <SYNONYM>
D-idose

> <IUPAC_NAME>
aldehydo-D-idose

> <FORMULA>
C6H12O6

> <MASS>
180.156

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

> <SMILES>
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O

> <INCHI>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6+/m1/s1

> <INCHIKEY>
GZCGUPFRVQAUEE-ZXXMMSQZSA-N

> <CAS_REGISTRY_NUMBER>
5978-95-0

> <CHEMIDPLUS>
5978-95-0

> <METACYC_ACCESSION>
CPD-15756

> <PUBMED_CITATION>
31635397; 34354535

$$$$