KEGG   COMPOUND: C08335
Entry
C08335                      Compound                               
Name
Lucumin;
Benzeneacetonitrile,alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-,(R)-;
Mandelonitrile primeveroside
Formula
C19H25NO10
Exact mass
427.1478
Mol weight
427.4025
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from phenylalanine
    C08335  Lucumin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08335  Lucumin
Other DBs
CAS: 1392-28-5
PubChem: 10533
ChEBI: 6559
KNApSAcK: C00001449
NIKKAJI: J14.192E
LinkDB
KCF data

ATOM        30
            1   C1y C    28.4927  -16.9792
            2   O2x O    27.2715  -16.2780
            3   O2a O    29.7024  -16.2780
            4   C1y C    28.4927  -18.3818
            5   C1y C    26.0676  -16.9792
            6   C1c C    30.9064  -16.9735
            7   C1y C    27.2715  -19.0831
            8   O1a O    29.7024  -19.0831
            9   C1y C    26.0676  -18.3818
            10  C1b C    24.8521  -16.2780
            11  C8y C    32.0867  -16.2371
            12  C3b C    30.9589  -18.3759
            13  O1a O    27.2715  -20.4856
            14  O1a O    24.8521  -18.9431
            15  O2a O    23.7825  -17.1896
            16  C8x C    32.0284  -14.8346
            17  C8x C    33.3198  -16.8799
            18  N3a N    30.9357  -19.7727
            19  C1y C    22.5728  -17.8968
            20  C8x C    33.2088  -14.0865
            21  C8x C    34.5004  -16.1319
            22  C1y C    22.5728  -19.2993
            23  O2x O    21.3457  -17.1955
            24  C8x C    34.5177  -14.7410
            25  C1y C    21.3457  -20.0006
            26  O1a O    23.7768  -20.0706
            27  C1x C    20.1419  -17.9025
            28  C1y C    20.1419  -19.2993
            29  O1a O    21.3457  -21.4032
            30  O1a O    18.9263  -20.0006
BOND        32
            1     1   2 1
            2     1   3 1 #Up
            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 #Down
            12    7  13 1 #Up
            13    9  14 1 #Down
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 3
            18   19  15 1 #Up
            19   16  20 1
            20   17  21 2
            21   19  22 1
            22   19  23 1
            23   20  24 2
            24   22  25 1
            25   22  26 1 #Down
            26   23  27 1
            27   25  28 1
            28   25  29 1 #Up
            29   28  30 1 #Down
            30    7   9 1
            31   21  24 1
            32   27  28 1

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