KEGG   COMPOUND: C15772Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
Enzyme
1.14.11.59      2.4.1.202       3.2.1.182
Other DBs
PubChem: 47205098
ChEBI: 80091
ChEMBL: CHEMBL484638
NIKKAJI: J510.854C
LinkDB All DBs
KCF data Show

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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