KEGG   COMPOUND: C10538
Entry
C10538                      Compound                               

Name
Trifolirhizin;
(-)-Maackiain 3-O-glucoside
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
   PK1207 Pterocarpans
    C10538  Trifolirhizin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10538  Trifolirhizin
Other DBs
CAS: 6807-83-6
PubChem: 12721
ChEBI: 9714
ChEMBL: CHEMBL454878
KNApSAcK: C00010186
3DMET: B03937
NIKKAJI: J20.549D
KCF data

ATOM        32
            1   C1y C    27.8481  -17.0401
            2   C1y C    29.0587  -16.3442
            3   C8y C    26.6608  -16.3383
            4   O2x O    28.1288  -18.4029
            5   C8y C    30.0881  -17.2859
            6   C1x C    29.0647  -14.9580
            7   C8y C    26.6668  -14.9465
            8   C8x C    25.4736  -17.0343
            9   C8y C    29.5090  -18.5491
            10  C8x C    31.4741  -17.1514
            11  O2x O    27.8657  -14.2621
            12  C8x C    25.4736  -14.2563
            13  C8x C    24.2689  -16.3325
            14  C8x C    30.3162  -19.6895
            15  C8y C    32.2813  -18.2918
            16  C8y C    24.2689  -14.9465
            17  C8y C    31.7022  -19.5608
            18  O2x O    33.6673  -18.4497
            19  O2a O    22.9412  -14.0516
            20  O2x O    32.7258  -20.5142
            21  C1x C    33.9482  -19.8300
            22  C1y C    21.6194  -14.8937
            23  O2x O    20.4264  -14.1978
            24  C1y C    21.6194  -16.2740
            25  C1y C    19.2275  -14.8937
            26  C1y C    20.4264  -16.9700
            27  O1a O    22.8241  -16.9700
            28  C1y C    19.2275  -16.2740
            29  C1b C    18.0226  -14.1978
            30  O1a O    20.4264  -18.3561
            31  O1a O    18.0226  -16.9700
            32  O1a O    16.8236  -14.8879
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   22  19 1 #Up
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 1 #Down
            27   25  28 1
            28   25  29 1 #Up
            29   26  30 1 #Up
            30   28  31 1 #Down
            31   29  32 1
            32    5   9 2
            33    7  11 1
            34   13  16 1
            35   15  17 1
            36   20  21 1
            37   26  28 1

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