KEGG   COMPOUND: C16407
Entry
C16407                      Compound                               

Name
2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside;
THC 4'-glucoside;
Chalconaringenin 4'-glucoside;
2',4,4',6'-Tetrahydroxychalcone 4'-O-beta-D-glucoside
Formula
C21H22O10
Exact mass
434.1213
Mol weight
434.3934
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
1.21.3.6        2.4.1.286
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C16407  2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Chalcone glycosides
   C16407  2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside
Other DBs
PubChem: 47205705
ChEBI: 66906
KNApSAcK: C00007882
NIKKAJI: J1.863.016H
KCF data

ATOM        31
            1   C8y C    15.6100  -16.8700
            2   C8x C    15.6100  -18.2700
            3   C8y C    16.8224  -18.9700
            4   C8y C    18.0349  -18.2700
            5   C8y C    18.0349  -16.8700
            6   C8x C    16.8224  -16.1700
            7   C5a C    19.2473  -18.9700
            8   C2b C    20.4597  -18.2700
            9   C2b C    20.4597  -16.8700
            10  C8x C    22.8846  -16.8700
            11  C8y C    21.6722  -16.1700
            12  C8x C    24.0970  -16.1700
            13  C8y C    24.0970  -14.7700
            14  C8x C    22.8846  -14.0700
            15  C8x C    21.6722  -14.7700
            16  O1a O    25.2966  -14.0773
            17  O5a O    19.2473  -20.3700
            18  O1a O    16.8224  -20.3698
            19  O2a O    14.3976  -16.1700
            20  O1a O    19.2660  -16.1590
            21  C1y C    13.2021  -16.8604
            22  O2x O    12.0147  -16.1749
            23  C1y C    10.8023  -16.8750
            24  C1y C    10.8024  -18.2750
            25  C1y C    11.9897  -18.9604
            26  C1y C    13.2021  -18.2604
            27  C1b C     9.5710  -16.1640
            28  O1a O    11.9899  -20.3699
            29  O1a O     8.3703  -16.8573
            30  O1a O     9.5755  -18.9836
            31  O1a O    14.4396  -18.9749
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10   10  11 1
            11    9  11 1
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   11  15 2
            17   13  16 1
            18    7  17 2
            19    3  18 1
            20    1  19 1
            21    5  20 1
            22   21  19 1 #Up
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   23  27 1 #Up
            30   25  28 1 #Up
            31   27  29 1
            32   24  30 1 #Down
            33   26  31 1 #Down

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