KEGG   COMPOUND: C08340
Entry
C08340                      Compound                               
Name
Sarmentosin;
2-Butenenitrile,4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-
Formula
C11H17NO7
Exact mass
275.1005
Mol weight
275.2552
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from valine or isoleucine
    C08340  Sarmentosin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08340  Sarmentosin
Other DBs
CAS: 71933-54-5
PubChem: 10538
ChEBI: 9033
KNApSAcK: C00001455
NIKKAJI: J589.931A
LinkDB
KCF data

ATOM        19
            1   C1y C    25.5086  -16.3095
            2   O2x O    24.2942  -15.6089
            3   C1y C    25.5027  -17.7105
            4   O2a O    26.7170  -15.6149
            5   C1y C    23.0743  -16.3037
            6   C1y C    24.2885  -18.4168
            7   O1a O    26.7053  -18.4228
            8   C1b C    27.9195  -16.3095
            9   C1y C    23.0743  -17.7163
            10  C1b C    21.8542  -15.5972
            11  O1a O    24.2651  -19.8179
            12  C2b C    29.1279  -15.6149
            13  O1a O    21.8483  -18.4051
            14  O1a O    20.6341  -16.3037
            15  C2c C    30.3306  -16.3095
            16  C3b C    30.3246  -17.7046
            17  C1b C    31.5390  -15.6149
            18  N3a N    30.3189  -19.1057
            19  O1a O    32.7474  -16.3095
BOND        19
            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    9  13 1 #Down
            13   10  14 1
            14   12  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 3
            18   17  19 1
            19    6   9 1

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