KEGG   COMPOUND: C01158Help
Entry
C01158                      Compound                               

Name
1-O-Galloyl-beta-D-glucose;
1-Galloyl-beta-glucose;
beta-Glucogallin;
1-Galloyl-beta-D-glucose
Formula
C13H16O10
Exact mass
332.0743
Mol weight
332.2601
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01061  Biosynthesis of phenylpropanoids
Enzyme
2.3.1.90        2.3.1.143       2.4.1.136
Other DBs
CAS: 554-37-0
PubChem: 4386
ChEBI: 15834
ChEMBL: CHEMBL480283
KNApSAcK: C00002652 C00038195
3DMET: B01396
KCF data Show

ATOM        23
            1   C1y C    20.8601  -15.8359
            2   O2x O    19.6475  -15.1364
            3   C1y C    20.8601  -17.2280
            4   O7a O    22.0792  -15.1427
            5   C1y C    18.4348  -15.8359
            6   C1y C    19.6475  -17.9338
            7   O1a O    22.0727  -17.9338
            8   C7a C    23.2855  -14.4435
            9   C1y C    18.4348  -17.2280
            10  C1b C    17.2414  -15.1364
            11  O1a O    19.6475  -19.3962
            12  C8y C    24.4916  -15.1427
            13  O6a O    23.2918  -13.1848
            14  O1a O    17.2414  -17.9338
            15  O1a O    16.1698  -16.0411
            16  C8x C    24.4916  -16.5545
            17  C8x C    25.7173  -14.4435
            18  C8y C    25.7173  -17.2665
            19  C8y C    26.9234  -15.1427
            20  C8y C    26.9556  -16.4197
            21  O1a O    25.7173  -18.6654
            22  O1a O    28.1362  -14.4435
            23  O1a O    28.1362  -17.2474
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 2
            16   12  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23    6   9 1
            24   19  20 1

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