KEGG   COMPOUND: C16223
Entry
C16223                      Compound                               

Name
(-)-Medicocarpin;
Medicarpin 3-O-glucoside
Formula
C22H24O9
Exact mass
432.142
Mol weight
432.4206
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
    C16223  (-)-Medicocarpin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C16223  (-)-Medicocarpin
Other DBs
PubChem: 47205531
ChEBI: 80390
ChEMBL: CHEMBL517330
KNApSAcK: C00010183
NIKKAJI: J842.366K
KCF data

ATOM        31
            1   C8y C    17.4300  -20.6500
            2   C8x C    17.4300  -22.0500
            3   C8x C    18.6200  -22.7500
            4   C8y C    19.8800  -22.0500
            5   C8y C    19.8800  -20.6500
            6   C8x C    18.6200  -19.9500
            7   C1y C    21.0700  -22.7500
            8   C1y C    22.2600  -22.0500
            9   C1x C    22.2600  -20.6500
            10  O2x O    21.0700  -19.9500
            11  O2x O    21.3500  -24.1500
            12  C8y C    22.7500  -24.2900
            13  C8y C    23.3100  -22.9600
            14  C8x C    23.5900  -25.4100
            15  C8y C    24.9900  -25.2700
            16  C8x C    25.5500  -23.9400
            17  C8x C    24.7100  -22.8200
            18  O2a O    25.8300  -26.3900
            19  C1a C    27.2300  -26.2500
            20  O2a O    16.2400  -19.9500
            21  C1y C    12.6000  -20.6500
            22  C1y C    12.6000  -22.0500
            23  C1y C    13.7900  -22.7500
            24  C1y C    15.0500  -22.0500
            25  C1y C    15.0500  -20.6500
            26  O2x O    13.7900  -19.9500
            27  C1b C    11.3847  -19.9549
            28  O1a O    13.7728  -24.1499
            29  O1a O    11.3847  -22.7451
            30  O1a O    16.2566  -22.7600
            31  O1a O    10.1963  -20.6477
BOND        35
            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 1
            10    9  10 1
            11    5  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15    8  13 1
            16   12  14 2
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   13  17 2
            21   15  18 1
            22   18  19 1
            23    1  20 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   25  20 1 #Up
            31   21  27 1 #Up
            32   23  28 1 #Up
            33   22  29 1 #Down
            34   24  30 1 #Down
            35   27  31 1

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