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
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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