KEGG   COMPOUND: C10812
Entry
C10812                      Compound                               
Name
Piperonal
Formula
C8H6O3
Exact mass
150.0317
Mol weight
150.1314
Structure
Other DBs
CAS: 120-57-0
PubChem: 12995
ChEBI: 8240
KNApSAcK: C00002666
PDB-CCD: 5XC[PDBj]
3DMET: B04146
NIKKAJI: J2.919J
KCF data

ATOM        11
            1   C8x C    26.2828  -20.5659
            2   C8x C    28.6956  -19.1512
            3   C8y C    27.4791  -18.4602
            4   C8x C    26.2747  -19.1644
            5   C8y C    28.7073  -20.5465
            6   C8y C    27.5005  -21.2599
            7   O2x O    27.8060  -22.6281
            8   C1x C    29.2016  -22.7602
            9   O2x O    29.7586  -21.4737
            10  C4a C    27.5405  -17.0612
            11  O4a O    26.2545  -16.3694
BOND        12
            1     1   6 1
            2     5   2 1
            3     2   3 2
            4     3   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9   5 1
            10    4   1 2
            11    3  10 1
            12   10  11 2

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  All links  
Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   MASSBANK (3)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (11)   

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