KEGG   COMPOUND: C16224
Entry
C16224                      Compound                               

Name
Medicarpin 3-O-glucoside-6'-malonate
Formula
C25H26O12
Exact mass
518.1424
Mol weight
518.4667
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C16224  Medicarpin 3-O-glucoside-6'-malonate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C16224  Medicarpin 3-O-glucoside-6'-malonate
Other DBs
PubChem: 47205532
ChEBI: 80391
KNApSAcK: C00010184
NIKKAJI: J2.799.129G
KCF data

ATOM        37
            1   C8y C    31.9900  -32.8300
            2   C8x C    31.9900  -34.2300
            3   C8x C    33.1100  -34.9300
            4   C8y C    34.3700  -34.2300
            5   C8y C    34.3700  -32.8300
            6   C8x C    33.1100  -32.1300
            7   C1y C    35.5600  -34.9300
            8   C1y C    36.7500  -34.2300
            9   C1x C    36.7500  -32.8300
            10  O2x O    35.5600  -32.1300
            11  O2x O    35.8400  -36.3300
            12  C8y C    37.2400  -36.4700
            13  C8y C    37.8000  -35.1400
            14  C8x C    38.0800  -37.5900
            15  C8y C    39.4800  -37.4500
            16  C8x C    40.0400  -36.1200
            17  C8x C    39.2000  -35.0000
            18  O2a O    40.3200  -38.5700
            19  C1a C    41.7200  -38.4300
            20  O2a O    30.8000  -32.1300
            21  C1y C    27.1600  -32.8300
            22  C1y C    27.1600  -34.2300
            23  C1y C    28.3500  -34.9300
            24  C1y C    29.6100  -34.2300
            25  C1y C    29.6100  -32.8300
            26  O2x O    28.3500  -32.1300
            27  C1b C    25.9000  -32.2000
            28  O1a O    28.2800  -36.3300
            29  O1a O    25.9000  -34.9300
            30  O1a O    30.8000  -35.0000
            31  O7a O    24.7100  -32.8300
            32  C7a C    23.5241  -32.0860
            33  C1b C    22.2945  -32.7368
            34  C6a C    21.0950  -31.9836
            35  O6a O    19.8353  -32.6499
            36  O6a O    21.0950  -30.5836
            37  O6a O    23.5241  -30.6860
BOND        41
            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
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   34  36 2
            41   32  37 2

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