KEGG   COMPOUND: C08265Help
Entry
C08265                      Compound                               

Name
Alliin
Formula
C6H11NO3S
Exact mass
177.046
Mol weight
177.2214
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Major components of natural products [BR:br08323]
 Medicinal herbs
  Garlic
   C08265  Alliin
BRITE hierarchy
Other DBs
CAS: 
556-27-4
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   S4a S    27.3123  -18.0367
            2   C1b C    26.0982  -17.3421
            3   C1b C    28.5266  -17.3364
            4   O3c O    27.3066  -19.4377
            5   C1c C    24.8899  -18.0426
            6   C2b C    29.7407  -18.0310
            7   C6a C    23.6815  -17.3538
            8   N1a N    24.8840  -19.4494
            9   C2a C    30.9491  -17.3247
            10  O6a O    22.4672  -18.0484
            11  O6a O    23.6698  -15.9471
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     5   8 1 #Down
            8     6   9 2
            9     7  10 1
            10    7  11 2

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