KEGG   COMPOUND: C00844Help
Entry
C00844                      Compound                               

Name
Prunasin;
(R)-Prunasin
Formula
C14H17NO6
Exact mass
295.1056
Mol weight
295.2879
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Prunus zippeliana [TAX:232787]
Reaction
Pathway
Cyanoamino acid metabolism
Biosynthesis of secondary metabolites
Enzyme
3.2.1.21        3.2.1.117       3.2.1.118
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from phenylalanine
    C00844  Prunasin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cyanogenic glycosides
    C00844  Prunasin
BRITE hierarchy
Other DBs
CAS: 
99-18-3
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1y C    17.8723  -15.1123
            2   O2a O    19.6978  -14.1993
            3   O2x O    16.6941  -14.4398
            4   C1y C    17.8723  -16.4570
            5   C1y C    15.5343  -15.1123
            6   C1y C    16.6941  -17.1233
            7   O1a O    18.9641  -17.1911
            8   C1y C    15.5343  -16.4570
            9   C1b C    14.4487  -14.5756
            10  O1a O    16.7004  -18.4743
            11  O1a O    14.4487  -17.1911
            12  O1a O    13.4246  -15.3036
            13  C1c C    21.5178  -14.8550
            14  C3b C    22.6858  -14.1373
            15  C8y C    21.4848  -16.2330
            16  C8x C    20.3270  -16.9435
            17  C8x C    20.2956  -18.2982
            18  C8x C    21.5547  -18.9441
            19  C8x C    22.7125  -18.2335
            20  C8x C    22.6762  -16.8789
            21  N3a N    23.8594  -13.4597
BOND        22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11    9  12 1
            12    6   8 1
            13   13   2 1 #Up
            14   13  14 1
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   14  21 3

» Japanese version

DBGET integrated database retrieval system