KEGG   COMPOUND: C08334
Entry
C08334                      Compound                               
Name
Lotaustralin
Formula
C11H19NO6
Exact mass
261.1212
Mol weight
261.2717
Structure
Reaction
Pathway
map00460  Cyanoamino acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.63        3.2.1.21
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from valine or isoleucine
    C08334  Lotaustralin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08334  Lotaustralin
Other DBs
CAS: 534-67-8
PubChem: 10532
ChEBI: 6542
KNApSAcK: C00001448
NIKKAJI: J412.304B
LinkDB
KCF data

ATOM        18
            1   C1y C    26.6465  -16.3261
            2   O2x O    25.4312  -15.6483
            3   C1y C    26.6641  -17.7168
            4   O2a O    27.8677  -15.6016
            5   C1y C    24.2274  -16.3670
            6   C1y C    25.4837  -18.4237
            7   O1a O    27.8677  -18.3946
            8   C1d C    29.1006  -16.3144
            9   C1y C    24.1984  -17.7519
            10  C1b C    23.0064  -15.6834
            11  O1a O    25.4837  -19.8086
            12  C1b C    30.3276  -15.6016
            13  C3b C    29.0889  -17.7343
            14  C1a C    30.3801  -17.2197
            15  O1a O    23.0589  -18.4588
            16  O1a O    21.8201  -16.4021
            17  C1a C    31.5488  -16.3144
            18  N3a N    29.1531  -19.1542
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 #Down
            13    8  14 1 #Up
            14    9  15 1 #Down
            15   10  16 1
            16   12  17 1
            17   13  18 3
            18    6   9 1

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