KEGG   COMPOUND: C04831Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00402  Benzoxazinoid biosynthesis
Enzyme
2.1.1.241       2.4.1.202       3.2.1.182
Other DBs
PubChem: 7392
ChEBI: 16603
ChEMBL: CHEMBL519905
KNApSAcK: C00001538
3DMET: B01795
NIKKAJI: J632.914D
LinkDB All DBs
KCF data Show

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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