KEGG   COMPOUND: C08345
Entry
C08345                      Compound                               
Name
Zierin;
Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)
Formula
C14H17NO7
Exact mass
311.1005
Mol weight
311.2873
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from phenylalanine
    C08345  Zierin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08345  Zierin
Other DBs
CAS: 645-02-3
PubChem: 10542
ChEBI: 10111
KNApSAcK: C00001460
NIKKAJI: J16.158F
LinkDB
KCF data

ATOM        22
            1   C1y C    25.4111  -17.4186
            2   O2a O    26.6350  -16.7016
            3   O2x O    24.1987  -16.7542
            4   C1y C    25.4285  -18.8115
            5   C1c C    27.8589  -17.4127
            6   C1y C    23.0039  -17.4593
            7   C1y C    24.2511  -19.5226
            8   O1a O    26.6291  -19.4818
            9   C8y C    29.0770  -16.7016
            10  C3b C    27.8531  -18.8291
            11  C1y C    23.0389  -18.8465
            12  C1b C    21.7741  -16.7892
            13  O1a O    24.2511  -20.8981
            14  C8x C    30.3068  -17.4127
            15  C8x C    29.0829  -15.2854
            16  N3a N    27.8472  -20.2453
            17  O1a O    21.8324  -19.5576
            18  O1a O    20.6026  -17.4943
            19  C8y C    31.5249  -16.7016
            20  C8x C    30.3068  -14.5860
            21  C8x C    31.5249  -15.2913
            22  O1a O    32.7488  -17.4127
BOND        23
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 2
            14    9  15 1
            15   10  16 3
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 1
            19   15  20 2
            20   19  21 2
            21   19  22 1
            22    7  11 1
            23   20  21 1

» Japanese version

DBGET integrated database retrieval system