COMPOUND: C10025


Entry
C10025                      Compound                               
Name
Baicalin;
Baicalein 7-O-glucuronide
Formula
C21H18O11
Exact mass
446.0849
Mol weight
446.361
Structure
Reaction
R09529 R09533
Enzyme
2.4.1.253       3.2.1.167
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10025  Baicalin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10025  Baicalin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C10025  Baicalin
Other DBs
CAS: 21967-41-9
PubChem: 12211
ChEBI: 2981
LIPIDMAPS: LMPK12111081
KNApSAcK: C00001024
PDB-CCD: 0XE[PDBj]
3DMET: B03469
NIKKAJI: J94.473D
KCF data

ATOM        32
            1   C8y C    26.9062  -17.1356
            2   C8y C    26.9004  -18.5075
            3   O2x O    28.1030  -16.4467
            4   C8x C    25.7153  -16.4407
            5   C8y C    25.7153  -19.2022
            6   C8y C    28.0856  -19.2080
            7   C8y C    29.2881  -17.1413
            8   C8y C    24.5243  -17.1356
            9   C8y C    24.5243  -18.5075
            10  O1a O    25.7211  -20.5741
            11  C8x C    29.2824  -18.5192
            12  O5x O    28.0796  -20.5800
            13  C8y C    30.4849  -16.4583
            14  O2a O    22.8488  -15.8162
            15  O1a O    23.4733  -19.5522
            16  C8x C    31.6643  -17.1589
            17  C8x C    30.4849  -15.0863
            18  C1y C    21.5468  -16.4467
            19  C8x C    32.8670  -16.4700
            20  C8x C    31.6760  -14.4033
            21  O2x O    20.3617  -15.7635
            22  C1y C    21.5468  -17.8245
            23  C8x C    32.8729  -15.0980
            24  C1y C    19.1649  -16.4467
            25  C1y C    20.3617  -18.5134
            26  O1a O    22.6680  -18.4434
            27  C1y C    19.1649  -17.8245
            28  C6a C    17.9740  -15.7635
            29  O1a O    20.3676  -19.8911
            30  O1a O    17.9740  -18.5192
            31  O6a O    17.9798  -14.3857
            32  O6a O    16.7830  -16.4467
BOND        35
            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     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   13  17 1
            17   18  14 1 #Up
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 1 #Down
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31   28  32 2
            32    7  11 2
            33    8   9 1
            34   20  23 1
            35   25  27 1

» Japanese version

  All links  
Chemical substance (21)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   MASSBANK (13)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (4)   
   KEGG ENZYME (2)   
   KEGG REACTION (2)   
All databases (25)   

Download RDF