NP-MRD: Showing NP-Card for Medicarpin 3-O-(6'-malonylglucoside) (NP0049223)

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Record Information

Version

2.0

Created at

2022-03-17 21:09:02 UTC

Updated at

2022-03-17 21:09:02 UTC

NP-MRD ID

NP0049223

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Medicarpin 3-O-(6'-malonylglucoside)

Description

Medicarpin 3-O-(6'-malonylglucoside) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, medicarpin 3-O-(6'-malonylglucoside) has been detected, but not quantified in, alfalfa and pulses. Medicarpin 3-O-(6'-malonylglucoside) is found in Maackia amurensis. This could make medicarpin 3-O-(6'-malonylglucoside) a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061310392D          

 37 41  0  0  0  0            999 V2000
   -0.9390   -2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796   -2.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216   -1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   -0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6743   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -1.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270   -2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980   -1.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156   -2.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2765    1.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0819    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6109    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7873    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -0.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689   -1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6475    1.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    0.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5345   -0.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9819    1.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3346    0.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926   -0.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -2.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2582    0.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -1.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -2.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926   -1.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  2  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32  1  1  0  0  0  0
 32 11  1  0  0  0  0
 33  9  1  0  0  0  0
 33 16  1  0  0  0  0
 34 10  1  0  0  0  0
 34 20  1  0  0  0  0
 35 12  1  0  0  0  0
 35 25  1  0  0  0  0
 36 17  1  0  0  0  0
 36 24  1  0  0  0  0
 37 18  1  0  0  0  0
 37 25  1  0  0  0  0
M  END


  Mrv0541 05061310392D          

 37 41  0  0  0  0            999 V2000
   -0.9390   -2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796   -2.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216   -1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   -0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6743   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -1.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270   -2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980   -1.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156   -2.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2765    1.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0819    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6109    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7873    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4163   -0.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689   -1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6475    1.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    0.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5345   -0.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9819    1.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3346    0.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926   -0.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -2.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2582    0.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -1.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -2.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926   -1.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  2  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32  1  1  0  0  0  0
 32 11  1  0  0  0  0
 33  9  1  0  0  0  0
 33 16  1  0  0  0  0
 34 10  1  0  0  0  0
 34 20  1  0  0  0  0
 35 12  1  0  0  0  0
 35 25  1  0  0  0  0
 36 17  1  0  0  0  0
 36 24  1  0  0  0  0
 37 18  1  0  0  0  0
 37 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049223

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)=C3)C1O2

> <INCHI_IDENTIFIER>
InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)

> <INCHI_KEY>
BQAJKXKYTQTBDK-UHFFFAOYSA-N

> <FORMULA>
C25H26O12

> <MOLECULAR_WEIGHT>
518.4667

> <EXACT_MASS>
518.142426296

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
50.57749087888338

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-oxo-3-{[3,4,5-trihydroxy-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acid

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
0.5745091593333334

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.201707345883293

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3995386139230006

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64910302537729

> <JCHEM_POLAR_SURFACE_AREA>
170.43999999999997

> <JCHEM_REFRACTIVITY>
120.70109999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-oxo-3-{[3,4,5-trihydroxy-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.753  -4.262   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.985  -2.851   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.899  -4.971   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.353  -2.145   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.362  -5.059   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.207  -5.221   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.747  -2.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.512   2.259   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.827  -1.196   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.589  -0.580   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.911  -4.389   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.592  -3.595   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.649  -2.978   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.517  -3.771   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.135  -2.572   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.210  -2.396   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.576  -4.516   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.052  -0.668   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      21.049   2.347   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.820   0.883   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.207   0.619   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.670   0.531   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.977  -0.844   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.979  -3.859   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.822  -2.132   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      21.742   3.722   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      21.895   1.059   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      19.664  -0.404   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      14.900   1.995   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      11.825   1.819   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      10.440  -0.932   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.457  -5.095   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       7.365  -1.108   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      17.282   0.795   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      12.129  -3.507   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.016  -5.061   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      14.360  -2.044   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2    4   11                                                       
CONECT    3    5   12                                                       
CONECT    4    2   13                                                       
CONECT    5    3   14                                                       
CONECT    6   11   17                                                       
CONECT    7   12   16                                                       
CONECT    8   19   20                                                       
CONECT    9   15   33                                                       
CONECT   10   18   34                                                       
CONECT   11    2    6   32                                                  
CONECT   12    3    7   35                                                  
CONECT   13    4   15   17                                                  
CONECT   14    5   16   24                                                  
CONECT   15    9   13   24                                                  
CONECT   16    7   14   33                                                  
CONECT   17    6   13   36                                                  
CONECT   18   10   21   37                                                  
CONECT   19    8   26   27                                                  
CONECT   20    8   28   34                                                  
CONECT   21   18   22   29                                                  
CONECT   22   21   23   30                                                  
CONECT   23   22   25   31                                                  
CONECT   24   14   15   36                                                  
CONECT   25   23   35   37                                                  
CONECT   26   19                                                            
CONECT   27   19                                                            
CONECT   28   20                                                            
CONECT   29   21                                                            
CONECT   30   22                                                            
CONECT   31   23                                                            
CONECT   32    1   11                                                       
CONECT   33    9   16                                                       
CONECT   34   10   20                                                       
CONECT   35   12   25                                                       
CONECT   36   17   24                                                       
CONECT   37   18   25                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
Medicarpin 3-O-(6'-malonylgluclside)	HMDB

Chemical Formula

C₂₅H₂₆O₁₂

Average Mass

518.4667 Da

Monoisotopic Mass

518.14243 Da

IUPAC Name

3-oxo-3-{[3,4,5-trihydroxy-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acid

Traditional Name

3-oxo-3-{[3,4,5-trihydroxy-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acid

CAS Registry Number

131653-24-2

SMILES

COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(COC(=O)CC(O)=O)C(O)C(O)C4O)=C3)C1O2

InChI Identifier

InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)

InChI Key

BQAJKXKYTQTBDK-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Maackia amurensis	LOTUS Database	35616633
Medicago sativa	FooDB	KNAPSACK

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Furanoisoflavonoids

Direct Parent

Pterocarpans

Alternative Parents

Substituents

Isoflavanol
Pterocarpan
Isoflavan
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Coumaran
Benzofuran
Anisole
Alkyl aryl ether
Dicarboxylic acid or derivatives
Benzenoid
1,3-dicarbonyl compound
Monosaccharide
Oxane
Carboxylic acid ester
Secondary alcohol
Ether
Acetal
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Polyol
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Pterocarpans (LMPK12070006 )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	0.98	ALOGPS
logP	0.57	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.4	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	170.44 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	120.7 m³·mol⁻¹	ChemAxon
Polarizability	50.58 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0038776

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018195

KNApSAcK ID

C00010184

Chemspider ID

24842980

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44257430

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Medicarpin 3-O-(6'-malonylglucoside) (NP0049223)

MOL for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

3D MOL for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

3D SDF for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

3D-SDF for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

PDB for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

3D PDB for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

SMILES for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

INCHI for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

Structure for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))

3D Structure for NP0049223 (Medicarpin 3-O-(6'-malonylglucoside))