KEGG   COMPOUND: C04831
Entry
C04831                      Compound                               
Name
DIMBOA-glucoside;
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside;
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside;
(2R)-4-Hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
Formula
C15H19NO10
Exact mass
373.1009
Mol weight
373.3121
Structure
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.241       2.4.1.202       3.2.1.182
Other DBs
PubChem: 7392
ChEBI: 16603
KNApSAcK: C00001538
3DMET: B01795
NIKKAJI: J632.914D
LinkDB
KCF data

ATOM        26
            1   C8y C    16.1135  -18.2979
            2   C8y C    16.1194  -16.9046
            3   N1y N    17.3145  -18.9975
            4   C8x C    14.9127  -18.9916
            5   O2x O    17.3261  -16.2051
            6   C8x C    14.9127  -16.1993
            7   C5x C    18.5212  -18.3096
            8   O1b O    17.2969  -20.3848
            9   C8x C    13.7001  -18.2979
            10  C1y C    18.5269  -16.9105
            11  C8y C    13.7001  -16.9046
            12  O5x O    19.7162  -18.9975
            13  O2a O    12.4876  -16.1993
            14  C1a C    11.2693  -16.8872
            15  O2a O    19.7396  -16.2110
            16  C1y C    20.9404  -15.5114
            17  O2x O    22.1354  -16.1993
            18  C1y C    20.9404  -14.1240
            19  C1y C    23.3421  -15.5114
            20  C1y C    22.1411  -13.4302
            21  O1a O    19.7396  -13.4244
            22  C1y C    23.3421  -14.1297
            23  C1b C    24.5429  -16.2051
            24  O1a O    22.1411  -12.0429
            25  O1a O    24.5429  -13.4302
            26  O1a O    25.9362  -15.3424
BOND        28
            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   11  13 1
            13   13  14 1
            14    7  10 1
            15    9  11 1
            16   16  15 1 #Up
            17   16  17 1
            18   16  18 1
            19   17  19 1
            20   18  20 1
            21   18  21 1 #Down
            22   19  22 1
            23   19  23 1 #Up
            24   20  24 1 #Up
            25   22  25 1 #Down
            26   23  26 1
            27   20  22 1
            28   10  15 1 #Down

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