KEGG   COMPOUND: C05376
Entry
C05376                      Compound                               

Name
Biochanin A-beta-D-glucoside;
Biochanin A 7-O-beta-D-glucoside;
Sissotrin
Formula
C22H22O10
Exact mass
446.1213
Mol weight
446.4041
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
2.3.1.115       2.4.1.170
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C05376  Biochanin A-beta-D-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C05376  Biochanin A-beta-D-glucoside
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Isoflavones
    C05376  Biochanin A-beta-D-glucoside
Other DBs
CAS: 5928-26-7
PubChem: 7750
ChEBI: 28751
ChEMBL: CHEMBL3426809
KNApSAcK: C00010112
3DMET: B01849
NIKKAJI: J14.104F
KCF data

ATOM        32
            1   C8y C    27.0191  -15.1980
            2   C8x C    27.0191  -16.5985
            3   C8y C    28.2350  -17.2988
            4   C8x C    28.2350  -14.4977
            5   C8y C    29.4436  -15.1980
            6   C8y C    29.4375  -16.5985
            7   C8y C    30.6474  -17.3040
            8   C8y C    31.8634  -16.6089
            9   C8x C    31.8693  -15.2084
            10  O2x O    30.6595  -14.5030
            11  C8y C    33.0733  -17.3144
            12  C8x C    33.0602  -18.7134
            13  C8x C    34.2701  -19.4187
            14  C8y C    35.4859  -18.7237
            15  C8x C    35.4918  -17.3232
            16  C8x C    34.2820  -16.6177
            17  O5x O    30.6415  -18.7046
            18  O2a O    36.6958  -19.4291
            19  C1a C    37.9116  -18.7341
            20  O1a O    28.2382  -18.6993
            21  O2a O    25.8066  -14.4972
            22  C1y C    24.5933  -15.1968
            23  O2x O    23.3866  -14.4988
            24  C1y C    22.1734  -15.1983
            25  C1y C    22.1725  -16.5989
            26  C1y C    23.3851  -17.2998
            27  C1y C    24.5984  -16.6002
            28  C1b C    20.9608  -14.4976
            29  O1a O    20.9594  -17.2986
            30  O1a O    23.3844  -18.7003
            31  O1a O    25.8123  -17.2986
            32  O1a O    19.7475  -15.1972
BOND        35
            1    14  15 1
            2    15  16 2
            3    16  11 1
            4     5   6 1
            5     7  17 2
            6     6   7 1
            7    14  18 1
            8     7   8 1
            9    18  19 1
            10    8   9 2
            11    3  20 1
            12    9  10 1
            13    1  21 1
            14   10   5 1
            15   22  21 1 #Up
            16    8  11 1
            17    1   2 2
            18    2   3 1
            19    3   6 2
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  27 1
            25   27  22 1
            26    5   4 2
            27   24  28 1 #Up
            28    4   1 1
            29   25  29 1 #Down
            30   11  12 2
            31   26  30 1 #Up
            32   12  13 1
            33   27  31 1 #Down
            34   13  14 2
            35   28  32 1

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