KEGG   COMPOUND: C11048
Entry
C11048                      Compound                               
Name
Brassicanal A
Formula
C10H9NOS
Exact mass
191.0405
Mol weight
191.2496
Structure
Other DBs
PubChem: 13230
ChEBI: 3167
KNApSAcK: C00027107
NIKKAJI: J423.305K
KCF data

ATOM        13
            1   C8x C    24.6751  -19.7267
            2   C8x C    24.6751  -21.1280
            3   C8x C    25.8925  -21.8250
            4   C8x C    25.8925  -19.0225
            5   C8y C    27.1026  -19.7267
            6   C8y C    27.1042  -21.1290
            7   N4x N    28.4387  -21.5586
            8   C8y C    29.2644  -20.4219
            9   C8y C    28.4361  -19.2941
            10  S2a S    30.6531  -20.4167
            11  C1a C    31.3502  -21.6278
            12  C4a C    28.8564  -17.9898
            13  O4a O    30.2094  -17.6987
BOND        14
            1     3   6 1
            2     5   4 1
            3     5   6 2
            4     6   7 1
            5     7   8 1
            6     8   9 2
            7     9   5 1
            8     4   1 2
            9     8  10 1
            10   10  11 1
            11    1   2 1
            12    2   3 2
            13    9  12 1
            14   12  13 2

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Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (5)   

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