KEGG   COMPOUND: C08568
Entry
C08568                      Compound                               
Name
Vulgaxanthin-I
Formula
C14H17N3O7
Exact mass
339.1067
Mol weight
339.3007
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08568  Vulgaxanthin-I
Other DBs
CAS: 904-62-1
PubChem: 10761
ChEBI: 10025
KNApSAcK: C00001607
3DMET: B02229
NIKKAJI: J410.719E
LinkDB
KCF data

ATOM        24
            1   C2y C    26.6525  -19.8389
            2   C1x C    25.4336  -20.5328
            3   C2x C    27.8656  -20.5328
            4   C2b C    26.6525  -18.4333
            5   C1y C    25.4336  -21.9384
            6   C2y C    27.8656  -21.9384
            7   C2b C    25.4395  -17.7277
            8   N1x N    26.6525  -22.6440
            9   C6a C    24.2207  -22.6440
            10  C6a C    29.0786  -22.6440
            11  N2b N    25.4395  -16.3223
            12  O6a O    23.0018  -21.9384
            13  O6a O    24.2207  -24.0437
            14  O6a O    29.0786  -24.0437
            15  O6a O    30.2975  -21.9384
            16  C1c C    26.6468  -15.6165
            17  C1b C    26.6468  -14.2285
            18  C6a C    27.8481  -16.3164
            19  C1b C    27.8481  -13.5346
            20  O6a O    27.8423  -17.7101
            21  O6a O    29.0553  -15.6108
            22  C5a C    27.8481  -12.1406
            23  N1a N    29.0553  -11.4467
            24  O5a O    26.6351  -11.4467
BOND        24
            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 #Down
            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   16  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 2
            24    6   8 1

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