KEGG   COMPOUND: C08324
Entry
C08324                      Compound                               

Name
Acalyphin
Formula
C14H20N2O9
Exact mass
360.1169
Mol weight
360.3166
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from other origin
    C08324  Acalyphin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08324  Acalyphin
Other DBs
CAS: 81861-72-5
PubChem: 10522
ChEBI: 2372
KNApSAcK: C00001436
NIKKAJI: J2.701.387B
KCF data

ATOM        25
            1   N1y N    18.9066  -12.9299
            2   C1y C    18.9066  -14.2878
            3   C1z C    20.0826  -14.9668
            4   C2y C    21.2587  -14.2878
            5   C2x C    21.2587  -12.9299
            6   C5x C    20.0826  -12.2509
            7   O5x O    20.0826  -10.8932
            8   O2a O    22.4528  -14.9775
            9   C1a C    23.6218  -14.3027
            10  C3b C    18.9066  -15.6458
            11  N3a N    17.7306  -16.3247
            12  O1a O    17.7306  -14.9668
            13  C1a C    17.7306  -12.2509
            14  O2a O    20.0784  -16.9961
            15  C1y C    18.2757  -18.0789
            16  O2x O    17.1136  -17.4383
            17  C1y C    18.2927  -19.4111
            18  C1y C    15.9685  -18.1185
            19  C1y C    17.1645  -20.0858
            20  O1a O    19.4436  -20.0572
            21  C1y C    15.9325  -19.4450
            22  C1b C    14.7950  -17.4723
            23  O1a O    17.1645  -21.4123
            24  O1a O    14.8460  -20.1197
            25  O1a O    13.6669  -18.1525
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     4   8 1
            9     8   9 1
            10    3  10 1 #Down
            11   10  11 3
            12    2  12 1 #Down
            13    1  13 1
            14   15  14 1 #Up
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1 #Down
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1 #Up
            23   21  24 1 #Down
            24   22  25 1
            25   19  21 1
            26    3  14 1

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