Marvin  02030822332D          

  2  1  0  0  0  0            999 V2000
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <ID>
CHEBI:26689

> <NAME>
singlet dioxygen

> <DEFINITION>
A reactive oxygen species that is the lowest excited state of the dioxygen molecule.

> <STAR>
3

> <SYNONYM>
(1)O2

> <IUPAC_NAME>
singlet molecular oxygen

> <FORMULA>
O2

> <MASS>
31.99880

> <MONOISOTOPIC_MASS>
31.98983

> <CHARGE>
0

> <SMILES>
O=O

> <INCHI>
InChI=1S/O2/c1-2

> <INCHIKEY>
MYMOFIZGZYHOMD-UHFFFAOYSA-N

> <GMELIN_REGISTRY_NUMBER>
491

> <REAXYS_REGISTRY_NUMBER>
3587218

> <WIKIPEDIA_ACCESSION>
Singlet_oxygen

> <PUBMED_CITATION>
18264592; 21735018; 21883246

$$$$