KEGG   COMPOUND: C08564
Entry
C08564                      Compound                               
Name
Portulacaxanthin I
Formula
C14H16N2O7
Exact mass
324.0958
Mol weight
324.286
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08564  Portulacaxanthin I
Other DBs
CAS: 11042-69-6
PubChem: 10757
ChEBI: 8340
KNApSAcK: C00001603
3DMET: B02225
NIKKAJI: J2.766.290K
LinkDB
KCF data

ATOM        23
            1   N2y N    25.5447  -15.1509 #+
            2   C1y C    26.3667  -14.0201
            3   C2b C    25.5564  -16.5616
            4   C1x C    24.2157  -14.7197
            5   C1x C    25.5447  -12.8892
            6   C6a C    27.7657  -14.0142
            7   C2b C    26.7631  -17.2671
            8   C1y C    24.2157  -13.3264
            9   O6a O    28.4536  -12.7959
            10  O6a O    28.7567  -15.0111 #-
            11  C2y C    26.7572  -18.6602
            12  O1a O    23.0031  -12.6211
            13  C1x C    25.5331  -19.3481
            14  C2x C    27.9581  -19.3714
            15  C1y C    25.5214  -20.7529
            16  C2y C    27.9465  -20.7705
            17  N1x N    26.7338  -21.4641
            18  C6a C    24.3031  -21.4467
            19  C6a C    29.1472  -21.4875
            20  O6a O    23.1023  -20.7296
            21  O6a O    24.2857  -22.8458
            22  O6a O    29.1298  -22.8865
            23  O6a O    30.3656  -20.7938
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 2
            9     6  10 1
            10    7  11 2
            11    8  12 1 #Down
            12   11  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   19  23 2
            23    5   8 1
            24   16  17 1

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