KEGG   COMPOUND: C00844Help
Entry
C00844                      Compound                               

Name
Prunasin;
(R)-Prunasin
Formula
C14H17NO6
Exact mass
295.1056
Mol weight
295.2879
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.354       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: 4101
ChEBI: 17396 27761
ChEMBL: CHEMBL1778417
KNApSAcK: C00001454 C00034206
NIKKAJI: J113.483C
LinkDB All DBs
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

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