Ketcher 03101714562D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
   16.4114   -8.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5451   -8.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2779   -7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2779   -8.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4115   -6.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5451   -7.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2293   -6.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8173   -7.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2293   -8.4422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5170   -5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5383   -5.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8260   -4.7129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1371   -3.7678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  3  7  1  0     0  0
  4  1  1  0     0  0
  3  4  2  0     0  0
  4  9  1  0     0  0
  5  3  1  0     0  0
  5  6  2  0     0  0
  2  6  1  0     0  0
  7  8  2  0     0  0
  7 11  1  0     0  0
  8  9  1  0     0  0
 11 10  1  0     0  0
 10 12  2  0     0  0
 12 13  1  0     0  0
M  END
> <ID>
CHEBI:28311

> <NAME>
indol-3-ylacetaldehyde oxime

> <DEFINITION>
An aldoxime resulting from the formal condensation of the aldehyde moiety of indol-3-ylacetaldehyde with hydroxylamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5903; CHEBI:24799

> <SYNONYM>
Indole-3-acetaldoxime; indole-3-acetaldehyde oxime; indol-3-ylacetaldoxime; IAOx; 1H-indol-3-ylacetaldehyde oxime; (indol-3-yl)acetaldehyde oxime

> <IUPAC_NAME>
N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine

> <FORMULA>
C10H10N2O

> <MASS>
174.200

> <MONOISOTOPIC_MASS>
174.07931

> <CHARGE>
0

> <SMILES>
C1=CC=CC=2C(=CNC12)CC=NO

> <INCHI>
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2

> <INCHIKEY>
ZLIGRGHTISHYNH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2776-06-9

> <REAXYS_REGISTRY_NUMBER>
1528281

> <CHEMIDPLUS>
2776-06-9

> <KNAPSACK_ACCESSION>
C00000110

> <AGRICOLA_CITATION>
IND608026231

> <PUBMED_CITATION>
35631729; 37105378; 37233670; 37366635; 37547917; 38089848; 38102832

$$$$