KEGG   COMPOUND: C16352
Entry
C16352                      Compound                               

Name
7-Methylxanthosine
Formula
C11H15N4O6
Exact mass
299.0992
Mol weight
299.26
Structure
Reaction
Pathway
map00232  Caffeine metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.158       3.2.2.25
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16352  7-Methylxanthosine
Other DBs
PubChem: 47205660
ChEBI: 49310
NIKKAJI: J466.510D
KCF data

ATOM        21
            1   C8y C    30.0117  -23.6700
            2   N4y N    31.2943  -24.0829
            3   C8y C    30.0117  -22.3131
            4   N4x N    28.8339  -24.3543
            5   C1y C    30.9553  -26.7533
            6   C8x C    32.0901  -22.9977
            7   N5y N    31.3006  -21.8999 #+
            8   C8y C    28.8339  -21.6410
            9   C8y C    27.6745  -23.6700
            10  O2x O    29.8513  -25.9515
            11  C1y C    30.5481  -28.0112
            12  N4x N    27.6745  -22.3131
            13  O5x O    28.8276  -20.4435
            14  O5x O    26.5090  -24.3359
            15  C1y C    28.7783  -26.7348
            16  C1y C    29.2100  -28.0112
            17  O1a O    31.3499  -29.0905
            18  C1b C    27.4957  -26.3278
            19  O1a O    28.4269  -29.1028
            20  O1a O    26.5090  -27.2280
            21  C1a C    31.7334  -20.5882
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 2
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   15  18 1 #Up
            18   16  19 1 #Down
            19   18  20 1
            20    6   7 2
            21    9  12 1
            22   15  16 1
            23    7  21 1

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