KEGG   COMPOUND: C08556
Entry
C08556                      Compound                               
Name
Miraxanthin-III
Formula
C17H18N2O5
Exact mass
330.1216
Mol weight
330.3352
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08556  Miraxanthin-III
Other DBs
CAS: 5589-85-5
PubChem: 10749
ChEBI: 6947
KNApSAcK: C00001597
3DMET: B05265
NIKKAJI: J412.459F
LinkDB
KCF data

ATOM        24
            1   C2y C    27.9761  -18.6196
            2   C1x C    26.7517  -19.3076
            3   C2x C    29.1772  -19.3310
            4   C2b C    27.9761  -17.2260
            5   C1y C    26.7400  -20.7130
            6   C2y C    29.1656  -20.7304
            7   C2b C    26.7748  -16.5206
            8   N1x N    27.9470  -21.4244
            9   C6a C    25.5213  -21.4068
            10  C6a C    30.3668  -21.4476
            11  N2b N    26.7633  -15.1094
            12  O6a O    24.3200  -20.6897
            13  O6a O    25.5737  -22.8063
            14  O6a O    30.3492  -22.8470
            15  O6a O    31.5855  -20.7538
            16  C1b C    27.5855  -13.9782
            17  C1b C    26.7633  -12.8469
            18  C8y C    25.4337  -13.2844
            19  C8x C    24.2269  -12.5787
            20  C8x C    25.4337  -14.6779
            21  C8x C    23.0139  -13.2844
            22  C8x C    24.2269  -15.3834
            23  C8y C    23.0139  -14.6836
            24  O1a O    21.7952  -15.3776
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24    6   8 1
            25   22  23 2

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