KEGG   COMPOUND: C01562Help
Entry
C01562                      Compound                               

Name
Calycosin;
3'-Hydroxyformononetin
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C01562  Calycosin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C01562  Calycosin
BRITE hierarchy
Other DBs
CAS: 20575-57-9
PubChem: 4720
ChEBI: 17793
ChEMBL: CHEMBL241608
KNApSAcK: C00009389
3DMET: B00319
NIKKAJI: J16.804A
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    41.3913  -27.9444
            2   C8y C    42.5819  -28.6447
            3   C8y C    40.2007  -28.6447
            4   C8x C    41.3913  -26.5437
            5   C8x C    43.8426  -27.9444
            6   C8x C    42.5819  -30.0455
            7   C8y C    38.9400  -27.9444
            8   O5x O    40.2007  -29.8354
            9   O2x O    40.2007  -25.8433
            10  C8x C    45.0332  -28.6447
            11  C8y C    43.8426  -30.7458
            12  C8y C    38.9400  -26.5437
            13  C8x C    37.6794  -28.6447
            14  C8y C    45.0332  -30.0455
            15  C8x C    37.6794  -25.8433
            16  C8x C    36.4888  -27.9444
            17  O2a O    46.2238  -30.8159
            18  C8y C    36.4888  -26.5437
            19  C1a C    47.4844  -30.1155
            20  O1a O    35.2982  -25.8433
            21  O1a O    43.7893  -32.1294
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    9  12 1
            21   11  14 2
            22   16  18 1
            23   11  21 1

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