KEGG   COMPOUND: C08493
Entry
C08493                      Compound                               
Name
Indole-3-carboxaldehyde;
Indole-3-carbaldehyde
Formula
C9H7NO
Exact mass
145.0528
Mol weight
145.158
Structure
Other DBs
CAS: 487-89-8
PubChem: 10686
ChEBI: 28238
KNApSAcK: C00000112
PDB-CCD: I3A[PDBj]
NIKKAJI: J26.057F
KCF data

ATOM        11
            1   C8y C    27.9998  -19.3550
            2   C8y C    28.0291  -17.9542
            3   C8y C    29.3250  -19.8164
            4   C8x C    26.7799  -20.0265
            5   N4x N    29.3718  -17.5513
            6   C8x C    26.8265  -17.2303
            7   C8x C    30.1715  -18.6955
            8   C4a C    29.3250  -21.2115
            9   C8x C    25.5773  -19.3085
            10  C8x C    25.5306  -17.9074
            11  O4a O    30.5334  -21.9178
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     6  10 2
            10    8  11 2
            11    5   7 1
            12    9  10 1

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Chemical substance (21)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (15)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (21)   

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