KEGG   COMPOUND: C15772
Entry
C15772                      Compound                               
Name
DIBOA-glucoside;
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside;
(2R)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
Formula
C14H17NO9
Exact mass
343.0903
Mol weight
343.2861
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      2.4.1.202       3.2.1.182
Other DBs
PubChem: 47205098
ChEBI: 80091
NIKKAJI: J510.854C
LinkDB
KCF data

ATOM        24
            1   C8y C    14.9246  -18.2990
            2   C8y C    14.9305  -16.9056
            3   N1y N    16.1257  -18.9986
            4   C8x C    13.7238  -18.9927
            5   O2x O    16.1373  -16.2061
            6   C8x C    13.7238  -16.2003
            7   C5x C    17.3324  -18.3107
            8   O1b O    16.1081  -20.3860
            9   C8x C    12.5111  -18.2990
            10  C1y C    17.3381  -16.9115
            11  C8x C    12.5111  -16.9056
            12  O5x O    18.5275  -18.9986
            13  O2a O    18.5509  -16.2120
            14  C1y C    19.7518  -15.5123
            15  O2x O    20.9468  -16.2003
            16  C1y C    19.7518  -14.1249
            17  C1y C    22.1536  -15.5123
            18  C1y C    20.9525  -13.4310
            19  O1a O    18.5509  -13.4252
            20  C1y C    22.1536  -14.1306
            21  C1b C    23.3544  -16.2061
            22  O1a O    20.9525  -12.0437
            23  O1a O    23.3544  -13.4310
            24  O1a O    24.7478  -15.3433
BOND        26
            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   14  13 1 #Up
            15   14  15 1
            16   14  16 1
            17   15  17 1
            18   16  18 1
            19   16  19 1 #Down
            20   17  20 1
            21   17  21 1 #Up
            22   18  22 1 #Up
            23   20  23 1 #Down
            24   21  24 1
            25   18  20 1
            26   10  13 1 #Down

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