KEGG   COMPOUND: C08332
Entry
C08332                      Compound                               

Name
Heterodendrin
Formula
C11H19NO6
Exact mass
261.1212
Mol weight
261.2717
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Cyanogenic glucosides derived from leucine
    C08332  Heterodendrin
Glycosides [BR:br08021]
 O-glycosides
  Cyanogenic glycosides
   C08332  Heterodendrin
Other DBs
CAS: 66465-22-3
PubChem: 10530
ChEBI: 5687
KNApSAcK: C00001445
NIKKAJI: J768.824E
KCF data

ATOM        18
            1   C1y C    28.8224  -16.2679
            2   O2x O    27.6010  -15.6016
            3   C1y C    28.8398  -17.6647
            4   O2a O    30.0438  -15.5550
            5   C1y C    26.3970  -16.3089
            6   C1y C    27.6535  -18.3717
            7   O1a O    30.0379  -18.3426
            8   C1c C    31.2710  -16.2563
            9   C1y C    26.3738  -17.6998
            10  C1b C    25.1757  -15.6367
            11  O1a O    27.6535  -19.7626
            12  C1c C    32.4982  -15.5550
            13  C3b C    31.2652  -17.6764
            14  O1a O    25.2283  -18.4068
            15  O1a O    23.9892  -16.3439
            16  C1a C    33.7196  -16.2563
            17  C1a C    32.4924  -14.1348
            18  N3a N    31.3235  -19.0964
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 1
            17   13  18 3
            18    6   9 1

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