KEGG   COMPOUND: C10503
Entry
C10503                      Compound                               

Name
Medicarpin;
(-)-Medicarpin
Formula
C16H14O4
Exact mass
270.0892
Mol weight
270.28
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00942  Pterocarpan biosynthesis, daidzein => medicarpin
Enzyme
1.23.1.-        2.4.1.170       4.2.1.139
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C10503  (-)-Medicarpin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10503  (-)-Medicarpin
Other DBs
CAS: 32383-76-9
PubChem: 12686
ChEBI: 100
ChEMBL: CHEMBL238845
KNApSAcK: C00002547
3DMET: B03906
NIKKAJI: J92.506C
KCF data

ATOM        20
            1   C1y C    24.7204  -16.8642
            2   C1y C    25.9245  -16.1802
            3   C8y C    23.5278  -16.1685
            4   O2x O    24.9893  -18.2204
            5   C8y C    26.9476  -17.1097
            6   C1x C    25.9305  -14.7949
            7   C8y C    23.5337  -14.7832
            8   C8x C    22.3354  -16.8642
            9   C8y C    26.3688  -18.3723
            10  C8x C    28.3212  -16.9810
            11  O2x O    24.7321  -14.0991
            12  C8x C    22.3354  -14.0934
            13  C8x C    21.1311  -16.1685
            14  C8x C    27.1756  -19.4947
            15  C8x C    29.1280  -18.1035
            16  C8y C    21.1311  -14.7832
            17  C8y C    28.5493  -19.3603
            18  O1a O    19.9386  -14.0934
            19  O2a O    29.3560  -20.4942
            20  C1a C    30.7297  -20.3541
BOND        23
            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   16  18 1
            18   17  19 1
            19   19  20 1
            20    5   9 2
            21    7  11 1
            22   13  16 1
            23   15  17 1

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