Marvin  06260715552D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
M  END
> <ID>
CHEBI:37758

> <NAME>
iodoform

> <STAR>
3

> <SECONDARY_ID>
CHEBI:31706; CHEBI:29364

> <SYNONYM>
triiodomethane; Jodoform; CHI3; carbon triiodide

> <IUPAC_NAME>
iodoform

> <FORMULA>
CHI3

> <MASS>
393.73205

> <MONOISOTOPIC_MASS>
393.72124

> <CHARGE>
0

> <SMILES>
[H]C(I)(I)I

> <INCHI>
InChI=1S/CHI3/c2-1(3)4/h1H

> <INCHIKEY>
OKJPEAGHQZHRQV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
75-47-8

> <CHEMIDPLUS>
75-47-8

> <KEGG_DRUG_ACCESSION>
D01910

> <NIST_CHEMISTRY_WEBBOOK>
75-47-8

$$$$