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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 03:10:40 UTC

Update Date

2021-09-24 03:10:40 UTC

HMDB ID

HMDB0303602

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Liquiritin rhamnoside

Description

4',7-dihydroxyflavanone belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. 4',7-dihydroxyflavanone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on 4',7-dihydroxyflavanone.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0303602
     RDKit          3D
Liquiritin rhamnoside
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5482   -2.1631   -1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.3782   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -1.7454   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.6594    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7123   -0.6328    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -0.0325   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -0.0263   -1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710   -0.6154   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -0.6054   -0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -1.2155    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6416   -1.2216    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.6235    0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273    0.8733    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    2.0649    0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5352    2.2981    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133    3.4806    1.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617    1.2621    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.0610   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -0.1499   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -2.6740    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0854   -1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.8469    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496    0.4303   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112    0.4441   -2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4523    0.1450   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867   -1.6905    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -1.6991    1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    2.8664    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3231    4.2575    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367    1.3806    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4861   -0.7461   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 11  5  1  0
 19 13  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  7 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 14 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
M  END

Liquiritigenin
  Mrv1652303082008142D          

 19 21  0  0  1  0            999 V2000
    4.8148    0.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148   -2.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025    0.1297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3873    1.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5294   -0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5294   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148   -1.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004   -0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583   -0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629   -1.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154   -0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6727    0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    1.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6727    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303602

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2

> <INCHI_KEY>
FURUXTVZLHCCNA-UHFFFAOYSA-N

> <FORMULA>
C15H12O4

> <MOLECULAR_WEIGHT>
256.257

> <EXACT_MASS>
256.073558866

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
26.413770498733985

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
2.4886733719999996

> <ALOGPS_LOGS>
-3.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.480776938340991

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.788865277012675

> <JCHEM_PKA_STRONGEST_BASIC>
-4.939949525645975

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
69.30890000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-deoxyflavanone

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0303602
     RDKit          3D
Liquiritin rhamnoside
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5482   -2.1631   -1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.3782   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -1.7454   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.6594    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7123   -0.6328    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -0.0325   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -0.0263   -1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710   -0.6154   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -0.6054   -0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -1.2155    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6416   -1.2216    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.6235    0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273    0.8733    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    2.0649    0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5352    2.2981    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133    3.4806    1.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617    1.2621    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.0610   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -0.1499   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -2.6740    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0854   -1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.8469    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496    0.4303   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112    0.4441   -2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4523    0.1450   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867   -1.6905    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -1.6991    1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    2.8664    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3231    4.2575    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367    1.3806    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4861   -0.7461   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 11  5  1  0
 19 13  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  7 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 14 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
M  END

HEADER    PROTEIN                                 08-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Liquiritigenin                                    
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-20         0                                  
HETATM    1  O   UNK     0       8.988   0.205   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       8.988  -4.415   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       3.551   0.242   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      15.656   2.515   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      10.322  -0.565   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.322  -2.105   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.655   0.205   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.988  -2.875   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.654  -2.105   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.654  -0.565   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.989  -0.565   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.655   1.745   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.277  -2.929   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.277   0.258   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.882  -0.533   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.882  -2.137   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.322   0.205   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.989   2.515   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.322   1.745   0.000  0.00  0.00           C+0
CONECT    1    5   10                                                       
CONECT    2    8                                                            
CONECT    3   15                                                            
CONECT    4   19                                                            
CONECT    5    1    6    7                                                  
CONECT    6    5    8                                                       
CONECT    7    5   11   12                                                  
CONECT    8    2    6    9                                                  
CONECT    9    8   10   13                                                  
CONECT   10    1    9   14                                                  
CONECT   11    7   17                                                       
CONECT   12    7   18                                                       
CONECT   13    9   16                                                       
CONECT   14   10   15                                                       
CONECT   15    3   14   16                                                  
CONECT   16   13   15                                                       
CONECT   17   11   19                                                       
CONECT   18   12   19                                                       
CONECT   19    4   17   18                                                  
MASTER        0    0    0    0    0    0    0    0   19    0   42    0
END

COMPND    HMDB0303602
HETATM    1  O1  UNL     1      -2.548  -2.163  -1.295  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.880  -1.378  -0.602  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.479  -1.745  -0.270  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.273  -0.659   0.423  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.712  -0.633   0.073  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.182  -0.032  -1.074  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.545  -0.026  -1.372  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.471  -0.615  -0.538  1.00  0.00           C  
HETATM    9  O2  UNL     1       5.838  -0.605  -0.843  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.997  -1.215   0.610  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.642  -1.222   0.906  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.284   0.623   0.209  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.627   0.873   0.265  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.178   2.065   0.703  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.535   2.298   0.752  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.113   3.481   1.186  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.362   1.262   0.332  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.849   0.061  -0.111  1.00  0.00           C  
HETATM   19  C15 UNL     1      -2.487  -0.150  -0.151  1.00  0.00           C  
HETATM   20  H1  UNL     1      -0.544  -2.674   0.371  1.00  0.00           H  
HETATM   21  H2  UNL     1       0.054  -2.085  -1.196  1.00  0.00           H  
HETATM   22  H3  UNL     1       0.186  -0.847   1.528  1.00  0.00           H  
HETATM   23  H4  UNL     1       1.450   0.430  -1.728  1.00  0.00           H  
HETATM   24  H5  UNL     1       3.911   0.444  -2.271  1.00  0.00           H  
HETATM   25  H6  UNL     1       6.452   0.145  -0.533  1.00  0.00           H  
HETATM   26  H7  UNL     1       4.687  -1.690   1.295  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.262  -1.699   1.820  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.530   2.866   1.029  1.00  0.00           H  
HETATM   29  H10 UNL     1      -4.323   4.257   0.575  1.00  0.00           H  
HETATM   30  H11 UNL     1      -5.437   1.381   0.345  1.00  0.00           H  
HETATM   31  H12 UNL     1      -4.486  -0.746  -0.439  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   19
CONECT    3    4   20   21
CONECT    4    5   12   22
CONECT    5    6    6   11
CONECT    6    7   23
CONECT    7    8    8   24
CONECT    8    9   10
CONECT    9   25
CONECT   10   11   11   26
CONECT   11   27
CONECT   12   13
CONECT   13   14   14   19
CONECT   14   15   28
CONECT   15   16   17   17
CONECT   16   29
CONECT   17   18   30
CONECT   18   19   19   31
END

HMDB0303602
     RDKit          3D
Liquiritin rhamnoside
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5482   -2.1631   -1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.3782   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -1.7454   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.6594    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7123   -0.6328    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -0.0325   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450   -0.0263   -1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710   -0.6154   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -0.6054   -0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -1.2155    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6416   -1.2216    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.6235    0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273    0.8733    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    2.0649    0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5352    2.2981    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133    3.4806    1.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617    1.2621    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.0610   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -0.1499   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -2.6740    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0854   -1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.8469    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496    0.4303   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112    0.4441   -2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4523    0.1450   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867   -1.6905    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -1.6991    1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    2.8664    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3231    4.2575    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367    1.3806    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4861   -0.7461   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 11  5  1  0
 19 13  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  7 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 14 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
7,4'-Dihydroxyflavanone	ChEBI
4',7-Dihydroxyflavanone	HMDB
5-DEOXYFLAVANONE	HMDB
DFV	HMDB

Chemical Formula

C₁₅H₁₂O₄

Average Molecular Weight

256.257

Monoisotopic Molecular Weight

256.073558866

IUPAC Name

7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

5-deoxyflavanone

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2

InChI Identifier

InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2

InChI Key

FURUXTVZLHCCNA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanones

Alternative Parents

Substituents

4'-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Flavanone
Chromone
Chromane
1-benzopyran
Benzopyran
Aryl alkyl ketone
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a flavanone (CPD-3061 )

Ontology

Physiological effect

Organoleptic effect

Odor

bitter

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0029519)

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Fruit vegetable

Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)
Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (Capsicum) (FooDB: FOOD00233)

Leaf vegetable

Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Ostrich fern (FooDB: FOOD00556)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Chicory leaves (FooDB: FOOD00250)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Onion-family vegetable

Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)

Stalk vegetable

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Citrus

Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Pummelo (FooDB: FOOD00055)
Citrus (FooDB: FOOD00859)

Berry

Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
Common grape (FooDB: FOOD00204)
American cranberry (FooDB: FOOD00192)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Lowbush blueberry (FooDB: FOOD00189)
Rowanberry (FooDB: FOOD00176)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Highbush blueberry (FooDB: FOOD00191)
Sparkleberry (FooDB: FOOD00190)
Canada blueberry (FooDB: FOOD00211)
Elliott's blueberry (FooDB: FOOD00210)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Red huckleberry (FooDB: FOOD00223)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)

Tropical fruit

Pome

Other fruit

Jujube (FooDB: FOOD00388)
Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)

Drupe

Common chokecherry (FooDB: FOOD00562)
Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Peach (var.) (FooDB: FOOD00230)

Fruits (FooDB: FOOD00871)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Cereal and cereal product

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Nut

Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Mixed nuts (FooDB: FOOD00771)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Gourd

Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)

Pulse

Bean

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pea

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Lentil

Lentils (FooDB: FOOD00098)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Soy

Soy product

Soy bean (FooDB: FOOD00085)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Confectionery

Candy

Liquorice (FooDB: FOOD00627)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Flavonoid Biosynthesis (PathBank: SMP0012021)

Role

Biological role

anti depressant (HMDB: HMDB0029519)
anti inflammatory (HMDB: HMDB0029519)
anti leukemic (HMDB: HMDB0029519)
anti spasmodic (HMDB: HMDB0029519)
anti ulcer (HMDB: HMDB0029519)
cancer preventive (HMDB: HMDB0029519)
central nervous system active (HMDB: HMDB0029519)
fungicide (HMDB: HMDB0029519)
hemoglobin inducer (HMDB: HMDB0029519)
phytoalexin (HMDB: HMDB0029519)

Modulator

Inhibitor

Enzyme inhibitor

monoamine-oxidase inhibitor (HMDB: HMDB0029519)

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

fungicide (HMDB: HMDB0029519)

Agriculture

Pesticide

Insecticide

pesticide (HMDB: HMDB0029519)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	2.79	ALOGPS
logP	2.49	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	7.79	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.31 m³·mol⁻¹	ChemAxon
Polarizability	26.41 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	159.434	32859911
AllCCS	[M+H-H2O]+	155.443	32859911
AllCCS	[M+Na]+	164.214	32859911
AllCCS	[M+NH4]+	163.145	32859911
AllCCS	[M-H]-	160.144	32859911
AllCCS	[M+Na-2H]-	159.489	32859911
AllCCS	[M+HCOO]-	158.895	32859911
DeepCCS	[M+H]+	164.08	30932474
DeepCCS	[M-H]-	161.722	30932474
DeepCCS	[M-2H]-	194.608	30932474
DeepCCS	[M+Na]+	170.174	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-002b-2933100000-ddf80ac4039ce216eb0e	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-002b-1933100000-8647d225fcee75be2251	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-004l-0910000000-63a750e75f49ab2a1ad8	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-002b-2933100000-ddf80ac4039ce216eb0e	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-002b-1933100000-8647d225fcee75be2251	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Liquiritin rhamnoside GC-EI-TOF (Non-derivatized)	splash10-004l-0910000000-63a750e75f49ab2a1ad8	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Liquiritin rhamnoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-06vr-1290000000-473372a9cbd8aa299c8c	2017-07-27	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Liquiritin rhamnoside GC-MS (2 TMS) - 70eV, Positive	splash10-00b9-7639000000-bae8693dac55f48b7a98	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Liquiritin rhamnoside LC-ESI-qTof , Positive-QTOF	splash10-000i-0920000000-99358bcec35e8da3ac55	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Liquiritin rhamnoside Linear Ion Trap , negative-QTOF	splash10-001i-0900000000-7c2a4142ad7ac925ab96	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Liquiritin rhamnoside Linear Ion Trap , positive-QTOF	splash10-000j-0970000000-57e6609f1e3db56fd859	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Liquiritin rhamnoside , positive-QTOF	splash10-000i-0920000000-99358bcec35e8da3ac55	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Liquiritin rhamnoside , positive-QTOF	splash10-000i-1930000000-d1162e6450775d0179ab	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 10V, Positive-QTOF	splash10-0a4i-0290000000-76d8588c0ed0a8f5ce31	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 20V, Positive-QTOF	splash10-059i-0980000000-08a11004d141f30638f7	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 40V, Positive-QTOF	splash10-00y1-5910000000-e60e52225f16ed4919a7	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 10V, Negative-QTOF	splash10-0a4i-0090000000-2325ae9643ac32fd23f9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 20V, Negative-QTOF	splash10-0a4i-1290000000-bd14bd382f234c971725	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 40V, Negative-QTOF	splash10-014l-6930000000-2c9eaa5bfc05499d0bc4	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 10V, Negative-QTOF	splash10-0a4i-0090000000-74e7833e04a924835b1e	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 20V, Negative-QTOF	splash10-0a4r-0790000000-f21efeafedd047dfaebd	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 40V, Negative-QTOF	splash10-014i-0900000000-dbd38546a036e6ece955	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 10V, Positive-QTOF	splash10-0a4i-0090000000-95fde3556f3ac1e6ef94	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 20V, Positive-QTOF	splash10-052s-0940000000-0080393a0c361f79939d	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Liquiritin rhamnoside 40V, Positive-QTOF	splash10-000i-0900000000-3eb17350877e96e50caa	2021-10-21	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016563

KNApSAcK ID

Not Available

Chemspider ID

1818

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

136678

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Liquiritin rhamnoside (HMDB0303602)

MOL for HMDB0303602 (Liquiritin rhamnoside)

3D MOL for HMDB0303602 (Liquiritin rhamnoside)

3D SDF for HMDB0303602 (Liquiritin rhamnoside)

3D-SDF for HMDB0303602 (Liquiritin rhamnoside)

PDB for HMDB0303602 (Liquiritin rhamnoside)

3D PDB for HMDB0303602 (Liquiritin rhamnoside)

SMILES for HMDB0303602 (Liquiritin rhamnoside)

INCHI for HMDB0303602 (Liquiritin rhamnoside)

Structure for HMDB0303602 (Liquiritin rhamnoside)

3D Structure for HMDB0303602 (Liquiritin rhamnoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

GC-MS Spectra

MS/MS Spectra