Ketcher 01191711252D 1   1.00000     0.00000     0

 10  9  0     1  0            999 V2000
    5.7980   -3.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6565   -4.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5281   -3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -4.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580   -3.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9265   -4.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6565   -5.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5281   -2.8318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -5.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580   -2.8462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0     0  0
  2  1  1  0     0  0
  7  2  2  0     0  0
  3  2  1  0     0  0
  3  8  1  1     0  0
  4  3  1  0     0  0
  4  9  1  6     0  0
  5  4  1  0     0  0
 10  5  1  0     0  0
M  END
> <ID>
CHEBI:16880

> <NAME>
L-ribulose

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13163; CHEBI:6295; CHEBI:21382

> <SYNONYM>
L-Rul; L-ribulose; L-Ribulose; L-Riboketose; L-erythro-Pentulose; L-Arabinulose; L-Arabinoketose

> <IUPAC_NAME>
L-ribulose; L-erythro-pent-2-ulose

> <FORMULA>
C5H10O5; C5H10O5

> <MASS>
150.130

> <MONOISOTOPIC_MASS>
150.05282

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1

> <INCHIKEY>
ZAQJHHRNXZUBTE-UCORVYFPSA-N

> <CAS_REGISTRY_NUMBER>
2042-27-5

> <KEGG_COMPOUND_ACCESSION>
C00508

> <KNAPSACK_ACCESSION>
C00019634

$$$$