KEGG   COMPOUND: C11380
Entry
C11380                      Compound                               
Name
Apocynin;
Acetovanillone
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Other DBs
CAS: 498-02-2
PubChem: 13554
ChEBI: 2781
KNApSAcK: C00002689
PDB-CCD: I75[PDBj]
3DMET: B04230
NIKKAJI: J13.670K
KCF data

ATOM        12
            1   C8x C    24.8386  -17.1481
            2   C8y C    24.8386  -18.5484
            3   C8y C    26.0552  -19.2450
            4   C8x C    27.2646  -18.5484
            5   C8x C    27.2646  -17.1481
            6   C8y C    26.0552  -16.4446
            7   O1a O    26.0569  -20.6452
            8   O2a O    23.6255  -19.2456
            9   C5a C    26.0569  -15.0444
            10  C1a C    27.2713  -14.3493
            11  O5a O    24.8442  -14.3463
            12  C1a C    22.4117  -18.5496
BOND        12
            1     3   7 1
            2     1   2 1
            3     2   3 2
            4     2   8 1
            5     3   4 1
            6     6   9 1
            7     4   5 2
            8     9  10 1
            9     5   6 1
            10    9  11 2
            11    6   1 2
            12    8  12 1

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  All links  
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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