KEGG   COMPOUND: C17754
Entry
C17754                      Compound                               

Name
3-Methoxytyramine-betaxanthin
Formula
C18H20N2O6
Exact mass
360.1321
Mol weight
360.3612
Structure
Reaction
Pathway
map00965  Betalain biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C17754  3-Methoxytyramine-betaxanthin
Other DBs
PubChem: 96024081
ChEBI: 81319
NIKKAJI: J1.667.336F
KCF data

ATOM        26
            1   C2y C    20.6121  -17.0929
            2   C1x C    19.3888  -17.7745
            3   C2x C    21.8119  -17.7978
            4   C2b C    20.5479  -15.6950
            5   C1y C    19.3771  -19.1783
            6   C2y C    21.8703  -19.1957
            7   C2b C    19.3421  -14.9902
            8   N1x N    20.5888  -19.8890
            9   C6a C    18.1599  -19.8714
            10  C6a C    23.0004  -19.9122
            11  N2b N    19.3305  -13.5805
            12  O6a O    16.9598  -19.1550
            13  O6a O    18.1423  -21.2693
            14  O6a O    23.0528  -21.3102
            15  O6a O    24.2178  -19.2190
            16  C1b C    20.1517  -12.4505
            17  C1b C    19.3305  -11.3206
            18  C8y C    18.0023  -11.7574
            19  C8x C    16.7966  -11.0526
            20  C8x C    18.0023  -13.1494
            21  C8y C    15.5851  -11.7574
            22  C8x C    16.7966  -13.8544
            23  C8y C    15.5851  -13.1554
            24  O2a O    14.3676  -11.0526
            25  O1a O    14.3676  -13.8485
            26  C1a C    13.1329  -11.7638
BOND        27
            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   17  18 1
            18   18  19 1
            19   18  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25    6   8 1
            26   22  23 2
            27   24  26 1

» Japanese version

DBGET integrated database retrieval system