Marvin  06150714482D          

  9  8  0  0  0  0            999 V2000
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  8  3  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  2  0  0  0  0
  6  9  1  4  0  0  0
M  END
> <ID>
CHEBI:5583

> <NAME>
gyromitrin

> <STAR>
3

> <SYNONYM>
N'-ethylidene-N-methylformic hydrazide; Gyromitrin; formic acid 2-ethylidene-1-methylhydrazide; acetaldehyde N-methyl-N-formylhydrazone; Acetaldehyde methylformylhydrazone

> <IUPAC_NAME>
N'-ethylidene-N-methylformohydrazide

> <FORMULA>
C4H8N2O

> <MASS>
100.11920

> <MONOISOTOPIC_MASS>
100.06366

> <CHARGE>
0

> <SMILES>
[H]C(C)=NN(C)C([H])=O

> <INCHI>
InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3

> <INCHIKEY>
IMAGWKUTFZRWSB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1922396

> <CAS_REGISTRY_NUMBER>
16568-02-8

> <CHEMIDPLUS>
16568-02-8

> <KEGG_COMPOUND_ACCESSION>
C08305

> <KNAPSACK_ACCESSION>
C00001412

$$$$