KEGG   COMPOUND: C18062
Entry
C18062                      Compound                               
Name
TRIBOA-glucoside;
2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside;
2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside;
(2R)-4,7-Dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
Formula
C14H17NO10
Exact mass
359.0852
Mol weight
359.2855
Structure
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.11.59      2.1.1.241
Other DBs
PubChem: 96024281
ChEBI: 81477
NIKKAJI: J2.710.715J
KCF data

ATOM        25
            1   C8y C    15.5073  -18.2491
            2   C8y C    15.5132  -16.8544
            3   N1y N    16.7095  -18.9493
            4   C8x C    14.3055  -18.9434
            5   O2x O    16.7211  -16.1543
            6   C8x C    14.3055  -16.1485
            7   C5x C    17.9173  -18.2608
            8   O1b O    16.6919  -20.3379
            9   C8x C    13.0917  -18.2491
            10  C1y C    17.9230  -16.8603
            11  C8y C    13.0917  -16.8544
            12  O5x O    19.1134  -18.9493
            13  O1a O    11.9060  -16.1730
            14  O2a O    19.1369  -16.1602
            15  C1y C    20.3388  -15.4599
            16  O2x O    21.5349  -16.1485
            17  C1y C    20.3388  -14.0712
            18  C1y C    22.7428  -15.4599
            19  C1y C    21.5406  -13.3767
            20  O1a O    19.1369  -13.3709
            21  C1y C    22.7428  -14.0769
            22  C1b C    23.9447  -16.1543
            23  O1a O    21.5406  -11.9882
            24  O1a O    23.9447  -13.3767
            25  O1a O    25.3393  -15.2907
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    7  10 1
            13    9  11 1
            14   11  13 1
            15   15  14 1 #Up
            16   15  16 1
            17   15  17 1
            18   16  18 1
            19   17  19 1
            20   17  20 1 #Down
            21   18  21 1
            22   18  22 1 #Up
            23   19  23 1 #Up
            24   21  24 1 #Down
            25   22  25 1
            26   19  21 1
            27   10  14 1 #Down

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