Mrv0541 05081410572D          

  9 10  0  0  0  0            999 V2000
    8.5700   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555   -3.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555   -4.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5700   -4.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   -4.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0691   -4.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5540   -3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0691   -3.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   -3.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:16881

> <NAME>
1H-indole

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5900; CHEBI:43537; CHEBI:14444; CHEBI:24794

> <SYNONYM>
indole; Indole; INDOLE; Indol; 2,3-Benzopyrrole

> <IUPAC_NAME>
1H-indole

> <FORMULA>
C8H7N; C8H7N

> <MASS>
117.14790

> <MONOISOTOPIC_MASS>
117.05785

> <CHARGE>
0

> <SMILES>
c1cc2ccccc2[nH]1

> <INCHI>
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

> <INCHIKEY>
SIKJAQJRHWYJAI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
107693

> <CAS_REGISTRY_NUMBER>
120-72-9

> <GMELIN_REGISTRY_NUMBER>
3477

> <CHEMIDPLUS>
120-72-9

> <DRUGBANK_ACCESSION>
DB04532

> <KEGG_COMPOUND_ACCESSION>
C00463

> <KNAPSACK_ACCESSION>
C00001418

> <NIST_CHEMISTRY_WEBBOOK>
120-72-9

> <PDBECHEM_ACCESSION>
IND

$$$$