KEGG   COMPOUND: C16408
Entry
C16408                      Compound                               
Name
2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside;
PHC 4'-O-glucoside;
2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside
Formula
C21H22O11
Exact mass
450.1162
Mol weight
450.39
Structure
Reaction
R08007 R08009 R08010
Pathway
map00941  Flavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.21.3.6        2.4.1.286
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C16408  2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C16408  2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Chalcone glycosides
   C16408  2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
Other DBs
PubChem: 47205706
ChEBI: 66904
LIPIDMAPS: LMPK12120267
KNApSAcK: C00007915
NIKKAJI: J1.863.019B
LinkDB
KCF data

ATOM        32
            1   C8y C    15.9600  -16.5200
            2   C8x C    15.9600  -17.9200
            3   C8y C    17.1500  -18.6200
            4   C8y C    18.4100  -17.9200
            5   C8y C    18.4100  -16.5200
            6   C8x C    17.1500  -15.8200
            7   C5a C    19.6000  -18.6200
            8   C2b C    20.7900  -17.9200
            9   C2b C    20.7900  -16.5200
            10  C8x C    23.2400  -16.5200
            11  C8y C    22.0500  -15.8200
            12  C8y C    24.4300  -15.8200
            13  C8y C    24.4300  -14.4200
            14  C8x C    23.2400  -13.7200
            15  C8x C    22.0500  -14.4200
            16  O1a O    25.6200  -13.7200
            17  O5a O    19.6000  -20.0200
            18  O1a O    17.1500  -20.0200
            19  O2a O    14.7700  -15.8200
            20  O1a O    19.6000  -15.8200
            21  C1y C    13.5800  -16.5200
            22  O2x O    12.3900  -15.8200
            23  C1y C    11.1300  -16.5200
            24  C1y C    11.1300  -17.9200
            25  C1y C    12.3200  -18.6200
            26  C1y C    13.5800  -17.9200
            27  C1b C     9.9400  -15.8200
            28  O1a O    12.3200  -20.0200
            29  O1a O     8.7500  -16.5200
            30  O1a O     9.9400  -18.6200
            31  O1a O    14.7700  -18.6200
            32  O1a O    25.6453  -16.5151
BOND        34
            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
            34   12  32 1

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