KEGG   COMPOUND: C08338
Entry
C08338                      Compound                               
Name
Proacacipetalin;
3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (S)-
Formula
C11H17NO6
Exact mass
259.1056
Mol weight
259.2558
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from leucine
    C08338  Proacacipetalin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08338  Proacacipetalin
Other DBs
CAS: 66871-89-4
PubChem: 10536
ChEBI: 8423
KNApSAcK: C00001452
NIKKAJI: J2.582.434B
LinkDB
KCF data

ATOM        18
            1   C1y C    26.6524  -17.0379
            2   O2x O    25.4310  -16.3716
            3   C1y C    26.6698  -18.4347
            4   O2a O    27.8738  -16.3250
            5   C1y C    24.2270  -17.0789
            6   C1y C    25.4835  -19.1417
            7   O1a O    27.8679  -19.1126
            8   C1c C    29.1010  -17.0263
            9   C1y C    24.2038  -18.4698
            10  C1b C    23.0057  -16.4067
            11  O1a O    25.4835  -20.5326
            12  C2c C    30.3282  -16.3250
            13  C3b C    29.0952  -18.4464
            14  O1a O    23.0583  -19.1768
            15  O1a O    21.8192  -17.1139
            16  C1a C    31.5496  -17.0263
            17  C2a C    30.3224  -14.9048
            18  N3a N    29.1535  -19.8664
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 1 #Up
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   12  17 2
            17   13  18 3
            18    6   9 1

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