NP-MRD: Showing NP-Card for Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside (NP0045742)

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Record Information

Version

2.0

Created at

2022-03-17 19:36:41 UTC

Updated at

2022-03-17 19:36:41 UTC

NP-MRD ID

NP0045742

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241212252D          

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M  CHG  1   7   1
M  END


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 60 61  2  0  0  0  0
 61 64  1  0  0  0  0
 62 63  1  0  0  0  0
 62 65  2  0  0  0  0
 63 64  2  0  0  0  0
 62 66  1  0  0  0  0
 57 67  1  0  0  0  0
 67 68  1  0  0  0  0
 58 69  1  0  0  0  0
M  CHG  1   7   1
M  END
> <DATABASE_ID>
NP0045742

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\C(=O)O[C@H]2[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=CC5=C(C=C(O)C=C5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[O+]=C4C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C45H52O24/c1-17-41(69-31(49)8-6-18-5-7-22(48)25(9-18)59-2)37(55)40(58)43(63-17)62-16-30-34(52)36(54)39(57)45(68-30)66-28-14-21-23(64-42(28)19-10-26(60-3)32(50)27(11-19)61-4)12-20(47)13-24(21)65-44-38(56)35(53)33(51)29(15-46)67-44/h5-14,17,29-30,33-41,43-46,51-58H,15-16H2,1-4H3,(H2-,47,48,49,50)/p+1/t17-,29+,30+,33+,34+,35-,36-,37-,38+,39+,40+,41-,43+,44+,45+/m0/s1

> <INCHI_KEY>
VEUBIJCEGPLGKZ-WXIIDWJUSA-O

> <FORMULA>
C45H53O24

> <MOLECULAR_WEIGHT>
977.8879

> <EXACT_MASS>
977.292677624

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
96.0954652736597

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
-0.36740000000000195

> <ALOGPS_LOGS>
-3.65

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.8713474529892515

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.641840723751656

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678957597563917

> <JCHEM_POLAR_SURFACE_AREA>
365.27000000000004

> <JCHEM_REFRACTIVITY>
238.22880000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.27e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -8.800   3.135   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.134   2.365   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.134   0.825   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.800   0.055   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.466   0.825   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.466   2.365   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.133   3.135   0.000  0.00  0.00           O+1
HETATM    8  C   UNK     0      -6.133   0.055   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.799   0.825   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.799   2.365   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.465   3.135   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.132   2.365   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.798   3.135   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.798   4.675   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.132   5.445   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.465   4.675   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -11.467   3.135   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -8.800  -1.485   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -2.132   6.985   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.465   7.755   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.536   5.445   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.536   2.365   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.536   0.825   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -11.467  -1.485   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -12.801  -2.255   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -12.801  -3.795   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -11.467  -4.565   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -10.134  -3.795   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.134  -2.255   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -8.800  -4.565   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0     -14.135  -1.485   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -14.135  -4.565   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -11.467  -6.105   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -15.468  -2.255   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.799  -2.255   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -4.799  -3.795   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.465  -4.565   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.132  -3.795   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.132  -2.255   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -3.465  -1.485   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.465   0.055   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -0.798  -1.485   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -6.133  -4.565   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -3.465  -6.105   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -0.798  -4.565   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -7.466  -8.415   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -7.466  -9.955   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -6.133 -10.725   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.799  -9.955   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -4.799  -8.415   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -6.133  -7.645   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -6.133  -6.105   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -3.465  -7.645   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -8.800 -10.725   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -3.465 -10.725   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0     -11.523 -13.599   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0     -13.063 -13.599   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -13.833 -14.932   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0     -13.063 -16.266   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0     -11.523 -16.266   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0     -10.753 -14.932   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      -6.903 -13.599   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -8.443 -13.599   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -9.213 -14.932   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      -6.133 -14.932   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      -6.133 -12.265   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0     -13.833 -12.265   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0     -15.373 -12.265   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0     -15.373 -14.932   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   41                                                  
CONECT   10    7    9   11                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   19                                                  
CONECT   16   11   15                                                       
CONECT   17    2                                                            
CONECT   18    4   29                                                       
CONECT   19   15   20                                                       
CONECT   20   19                                                            
CONECT   21   14                                                            
CONECT   22   13   23                                                       
CONECT   23   22                                                            
CONECT   24   25   29                                                       
CONECT   25   24   26   31                                                  
CONECT   26   25   27   32                                                  
CONECT   27   26   28   33                                                  
CONECT   28   27   29   30                                                  
CONECT   29   18   24   28                                                  
CONECT   30   28                                                            
CONECT   31   25   34                                                       
CONECT   32   26                                                            
CONECT   33   27                                                            
CONECT   34   31                                                            
CONECT   35   36   40                                                       
CONECT   36   35   37   43                                                  
CONECT   37   36   38   44                                                  
CONECT   38   37   39   45                                                  
CONECT   39   38   40   42                                                  
CONECT   40   35   39   41                                                  
CONECT   41    9   40                                                       
CONECT   42   39                                                            
CONECT   43   36   52                                                       
CONECT   44   37                                                            
CONECT   45   38                                                            
CONECT   46   47   51                                                       
CONECT   47   46   48   54                                                  
CONECT   48   47   49   66                                                  
CONECT   49   48   50   55                                                  
CONECT   50   49   51   53                                                  
CONECT   51   46   50   52                                                  
CONECT   52   43   51                                                       
CONECT   53   50                                                            
CONECT   54   47                                                            
CONECT   55   49                                                            
CONECT   56   57   61                                                       
CONECT   57   56   58   67                                                  
CONECT   58   57   59   69                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   56   60   64                                                  
CONECT   62   63   65   66                                                  
CONECT   63   62   64                                                       
CONECT   64   61   63                                                       
CONECT   65   62                                                            
CONECT   66   48   62                                                       
CONECT   67   57   68                                                       
CONECT   68   67                                                            
CONECT   69   58                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  150    0
END

View in JSmol

Synonyms

Value	Source
Malvidin 3-(6-(4-feruloyl-a-rhamnosyl)-b-glucoside) 5-b-glucoside	Generator
Malvidin 3-(6-(4-feruloyl-α-rhamnosyl)-β-glucoside) 5-β-glucoside	Generator

Chemical Formula

C₄₅H₅₃O₂₄

Average Mass

977.8879 Da

Monoisotopic Mass

977.29268 Da

IUPAC Name

3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

Traditional Name

CAS Registry Number

303115-58-4

SMILES

COC1=CC(\C=C\C(=O)O[C@H]2[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=CC5=C(C=C(O)C=C5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[O+]=C4C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)=CC=C1O

InChI Identifier

InChI=1S/C45H52O24/c1-17-41(69-31(49)8-6-18-5-7-22(48)25(9-18)59-2)37(55)40(58)43(63-17)62-16-30-34(52)36(54)39(57)45(68-30)66-28-14-21-23(64-42(28)19-10-26(60-3)32(50)27(11-19)61-4)12-20(47)13-24(21)65-44-38(56)35(53)33(51)29(15-46)67-44/h5-14,17,29-30,33-41,43-46,51-58H,15-16H2,1-4H3,(H2-,47,48,49,50)/p+1/t17-,29+,30+,33+,34+,35-,36-,37-,38+,39+,40+,41-,43+,44+,45+/m0/s1

InChI Key

VEUBIJCEGPLGKZ-WXIIDWJUSA-O

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Solanum tuberosum	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-5-O-glycosides

Alternative Parents

Substituents

Anthocyanidin-5-o-glycoside
Anthocyanidin-3-o-glycoside
Flavonoid-3-o-glycoside
3p-methoxyflavonoid-skeleton
Hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Anthocyanidin
Phenolic glycoside
Cinnamic acid ester
Hydroxycinnamic acid or derivatives
Coumaric acid or derivatives
Cinnamic acid or derivatives
O-glycosyl compound
Disaccharide
Glycosyl compound
Benzopyran
1-benzopyran
Methoxyphenol
Dimethoxybenzene
M-dimethoxybenzene
Anisole
Phenol ether
Styrene
Phenoxy compound
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Fatty acyl
Oxane
Enoate ester
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Acetal
Ether
Organoheterocyclic compound
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Oxacycle
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	1.83	ALOGPS
logP	-0.37	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	6.64	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	22	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	365.27 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	238.23 m³·mol⁻¹	ChemAxon
Polarizability	96.1 Å³	ChemAxon
Number of Rings	7	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001724

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

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Showing NP-Card for Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside (NP0045742)

MOL for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

3D MOL for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

3D SDF for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

3D-SDF for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

PDB for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

3D PDB for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

SMILES for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

INCHI for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

Structure for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)

3D Structure for NP0045742 (Malvidin 3-(6-(4-feruloyl-alpha-rhamnosyl)-beta-glucoside) 5-beta-glucoside)