KEGG   COMPOUND: C08549
Entry
C08549                      Compound                               
Name
Indicaxanthin
Formula
C14H16N2O6
Exact mass
308.1008
Mol weight
308.2866
Structure
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08549  Indicaxanthin
Other DBs
CAS: 2181-75-1
PubChem: 10742
ChEBI: 5896
KNApSAcK: C00001591
3DMET: B02217
NIKKAJI: J412.456A
LinkDB
KCF data

ATOM        22
            1   N2y N    25.4585  -15.0495 #+
            2   C1y C    26.2911  -13.9258
            3   C2b C    25.4585  -16.4527
            4   C1x C    24.1368  -14.6129
            5   C1x C    25.4759  -12.7905
            6   C6a C    27.6886  -13.9199
            7   C2b C    26.6695  -17.1573
            8   C1x C    24.1484  -13.2212
            9   O6a O    28.3873  -12.7089
            10  O6a O    28.3873  -15.1368 #-
            11  C2y C    26.6695  -18.5605
            12  C1x C    25.4526  -19.2534
            13  C2x C    27.8807  -19.2534
            14  C1y C    25.4526  -20.6566
            15  C2y C    27.8807  -20.6566
            16  N1x N    26.6695  -21.3610
            17  C6a C    24.2416  -21.3610
            18  C6a C    29.0917  -21.3610
            19  O6a O    23.0247  -20.6566
            20  O6a O    24.2416  -22.7584
            21  O6a O    29.0917  -22.7584
            22  O6a O    30.3086  -20.6566
BOND        23
            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   11  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   17  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 2
            22    5   8 1
            23   15  16 1

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