KEGG   COMPOUND: C08650
Entry
C08650                      Compound                               
Name
Isoliquiritigenin
Formula
C15H12O4
Exact mass
256.0736
Mol weight
256.2534
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00940  Flavanone biosynthesis, p-coumaroyl-CoA => liquiritigenin
Enzyme
2.1.1.154       2.3.1.170       5.5.1.6
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C08650  Isoliquiritigenin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C08650  Isoliquiritigenin
Other DBs
CAS: 961-29-5
PubChem: 10843
ChEBI: 310312
LIPIDMAPS: LMPK12120096
KNApSAcK: C00006925 C00035173
PDB-CCD: HCC[PDBj]
3DMET: B01111
NIKKAJI: J74.686J
KCF data

ATOM        19
            1   C8y C    26.4861  -17.7079
            2   C5a C    27.6973  -18.4010
            3   C8y C    25.2748  -18.4010
            4   C8x C    26.4861  -16.3044
            5   C2b C    28.9029  -17.7021
            6   O5a O    27.6973  -19.7987
            7   C8x C    24.0577  -17.7079
            8   O1a O    25.2748  -19.8044
            9   C8x C    25.2748  -15.5998
            10  C8y C    24.0577  -16.3044
            11  O1a O    22.8462  -15.5998
            12  C2b C    30.1253  -18.4050
            13  C8y C    31.3153  -17.7149
            14  C8x C    32.5078  -18.4006
            15  C8x C    33.7190  -17.6984
            16  C8y C    33.7165  -16.2985
            17  C8x C    32.5240  -15.6128
            18  C8x C    31.3128  -16.3149
            19  O1a O    34.9400  -15.5889
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     7  10 2
            10   10  11 1
            11    9  10 1
            12    5  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1

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