NP-MRD: Showing NP-Card for (-)-Maackiain 3-O-glucoside (NP0057154)

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Record Information

Version

2.0

Created at

2022-04-28 02:40:50 UTC

Updated at

2022-04-28 02:40:50 UTC

NP-MRD ID

NP0057154

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Maackiain 3-O-glucoside

Description

(-)-Maackiain 3-O-glucoside is found in Baptisia australis, Cicer judaicum, Cicer spp., Euchresta formosana, Euchresta japonica , Glycyrrhiza pallidiflora, Maackia amurensis, Ononis arvensis, Ononis natrix, Ononis spinosa , Ononis vaginalis, Sophora alopecuroides, Sophora flavescens , Sophora subprostrata, Sophora tonkinensis, Styphnolobium japonicum, Tephrosia spp., Thermopsis spp. and Trifolium pratense .

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533007131514022D          

 39 44  0  0  1  0            999 V2000
    0.9678    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671    0.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288    0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867    2.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -0.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743    0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0405    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059    1.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    1.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361    1.0807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8901    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582    2.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7573    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7637   -0.0049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3025   -0.6890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4795   -0.6316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1177    0.1098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.0184   -1.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3435   -0.5743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2441    0.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
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 16 15  2  0  0  0  0
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 22 30  1  1  0  0  0
 31 14  1  0  0  0  0
 31 21  1  0  0  0  0
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 32 22  1  0  0  0  0
 12 33  1  1  0  0  0
 17 34  1  6  0  0  0
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 20 37  1  1  0  0  0
 21 38  1  1  0  0  0
 22 39  1  6  0  0  0
M  END

     RDKit          3D

 54 59  0  0  0  0  0  0  0  0999 V2000
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   -2.5528    0.6934    0.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053    0.5061    0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749    1.3564    1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.2317    1.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    0.1988    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462   -0.6516    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455   -0.4790    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -1.6644   -0.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -1.5610   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478   -1.0919    0.3537 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9592   -0.5655   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977   -1.2287   -0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1372    0.8632   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    1.5071   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0775    0.0751    1.0753 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.3204    0.2719   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   -0.8689   -1.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4813   -0.1936   -0.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0640   -0.7743   -2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2785   -0.8679   -1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0863    0.3118   -2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 44  1  0
M  END


  Mrv1533007131514022D          

 39 44  0  0  1  0            999 V2000
    0.9678    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671    0.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5789    0.7938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9485   -0.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -1.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
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 13  3  1  0  0  0  0
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 22 20  1  0  0  0  0
 23  6  1  0  0  0  0
 18 24  1  6  0  0  0
 19 25  1  6  0  0  0
 20 26  1  6  0  0  0
 27  7  1  0  0  0  0
 27 13  1  0  0  0  0
 28  8  1  0  0  0  0
 28 15  1  0  0  0  0
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 29 16  1  0  0  0  0
 30  9  1  0  0  0  0
 22 30  1  1  0  0  0
 31 14  1  0  0  0  0
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 17 34  1  6  0  0  0
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 20 37  1  1  0  0  0
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 22 39  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0057154

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12COC3=C(C=CC(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)=C3)[C@]1([H])OC1=CC3=C(OCO3)C=C21

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1

> <INCHI_KEY>
VGSYCWGXBYZLLE-QEEQPWONSA-N

> <FORMULA>
C22H22O10

> <MOLECULAR_WEIGHT>
446.408

> <EXACT_MASS>
446.121296908

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
43.94438071422702

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy]oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
0.022060036333333283

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.196090792974335

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.200140018647128

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923437225645

> <JCHEM_POLAR_SURFACE_AREA>
136.3

> <JCHEM_REFRACTIVITY>
104.50919999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trifolirhizin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       1.806   4.357   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.343   4.464   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.992   1.696   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.387   1.625   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.495   4.703   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.829  -0.116   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.925   0.633   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.142   3.034   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.131   2.973   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.204   3.187   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.081   2.441   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.601   2.017   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.528   1.803   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.135   3.980   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.747   2.348   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.801   3.887   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.292  -0.009   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.431  -1.286   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.895  -1.179   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.220   0.205   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.740   3.294   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.081   1.482   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.504  -1.500   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -3.107  -2.670   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -0.034  -2.456   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.317   0.312   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.389   0.526   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      12.194   1.821   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      12.281   4.311   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.405   2.866   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.688   4.507   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.617   1.375   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0       5.065   1.910   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -3.968  -1.393   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -1.571  -2.563   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.756   0.098   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       0.641  -1.072   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       5.017   4.654   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.456   1.589   0.000  0.00  0.00           H+0
CONECT    1    2    9                                                       
CONECT    2    1   10                                                       
CONECT    3    9   13                                                       
CONECT    4   11   15                                                       
CONECT    5   14   16                                                       
CONECT    6   17   23                                                       
CONECT    7   12   27                                                       
CONECT    8   28   29                                                       
CONECT    9    1    3   30                                                  
CONECT   10    2   13   21                                                  
CONECT   11    4   12   14                                                  
CONECT   12    7   11   21   33                                             
CONECT   13    3   10   27                                                  
CONECT   14    5   11   31                                                  
CONECT   15    4   16   28                                                  
CONECT   16    5   15   29                                                  
CONECT   17    6   18   32   34                                             
CONECT   18   17   19   24   35                                             
CONECT   19   18   20   25   36                                             
CONECT   20   19   22   26   37                                             
CONECT   21   10   12   31   38                                             
CONECT   22   20   30   32   39                                             
CONECT   23    6                                                            
CONECT   24   18                                                            
CONECT   25   19                                                            
CONECT   26   20                                                            
CONECT   27    7   13                                                       
CONECT   28    8   15                                                       
CONECT   29    8   16                                                       
CONECT   30    9   22                                                       
CONECT   31   14   21                                                       
CONECT   32   17   22                                                       
CONECT   33   12                                                            
CONECT   34   17                                                            
CONECT   35   18                                                            
CONECT   36   19                                                            
CONECT   37   20                                                            
CONECT   38   21                                                            
CONECT   39   22                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
(-)-Maackiain 3-O-glucoside	Kegg

Chemical Formula

C₂₂H₂₂O₁₀

Average Mass

446.4080 Da

Monoisotopic Mass

446.12130 Da

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy]oxane-3,4,5-triol

Traditional Name

trifolirhizin

CAS Registry Number

Not Available

SMILES

[H][C@@]12COC3=C(C=CC(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)=C3)[C@]1([H])OC1=CC3=C(OCO3)C=C21

InChI Identifier

InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1

InChI Key

VGSYCWGXBYZLLE-QEEQPWONSA-N

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
Baptisia australis	Plant	KNApSAcK
Cicer judaicum	LOTUS Database	35616633
Cicer spp.	Plant	KNApSAcK
Euchresta formosana	Plant	KNApSAcK
Euchresta japonica	Plant	KNApSAcK
Glycyrrhiza pallidiflora	Plant	KNApSAcK
Maackia amurensis	LOTUS Database	35616633
Ononis arvensis	LOTUS Database	35616633
Ononis natrix	LOTUS Database	35616633
Ononis spinosa	Plant	KNApSAcK
Ononis vaginalis	LOTUS Database	35616633
Sophora alopecuroides	LOTUS Database	35616633
Sophora flavescens	Plant	KNApSAcK
Sophora subprostrata	Plant	KNApSAcK
Sophora tonkinensis	LOTUS Database	35616633
Styphnolobium japonicum	LOTUS Database	35616633
Tephrosia spp.	Plant	KNApSAcK
Thermopsis spp.	Plant	KNApSAcK
Trifolium pratense	Plant	KNApSAcK

Chemical Taxonomy

Description

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

Pterocarpan
Isoflavanol
Isoflavan
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Coumaran
Benzodioxole
Benzofuran
Alkyl aryl ether
Benzenoid
Monosaccharide
Oxane
Secondary alcohol
Polyol
Ether
Acetal
Organoheterocyclic compound
Oxacycle
Primary alcohol
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

pterocarpans (CHEBI:9714 )
pterocarpans (C10538 )
Pterocarpanes (C10538 )

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	0.7	ALOGPS
logP	0.022	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	136.3 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	104.51 m³·mol⁻¹	ChemAxon
Polarizability	43.94 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030080

KNApSAcK ID

C00010186

Chemspider ID

Not Available

KEGG Compound ID

C10538

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442827

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Maackiain 3-O-glucoside (NP0057154)

MOL for NP0057154 ((-)-Maackiain 3-O-glucoside)

3D MOL for NP0057154 ((-)-Maackiain 3-O-glucoside)

3D SDF for NP0057154 ((-)-Maackiain 3-O-glucoside)

3D-SDF for NP0057154 ((-)-Maackiain 3-O-glucoside)

PDB for NP0057154 ((-)-Maackiain 3-O-glucoside)

3D PDB for NP0057154 ((-)-Maackiain 3-O-glucoside)

SMILES for NP0057154 ((-)-Maackiain 3-O-glucoside)

INCHI for NP0057154 ((-)-Maackiain 3-O-glucoside)

Structure for NP0057154 ((-)-Maackiain 3-O-glucoside)

3D Structure for NP0057154 ((-)-Maackiain 3-O-glucoside)