NP-MRD: Showing NP-Card for 7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin (NP0063033)

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Record Information

Version

2.0

Created at

2022-04-28 07:32:32 UTC

Updated at

2022-04-28 07:32:32 UTC

NP-MRD ID

NP0063033

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin

Description

7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-2H-chromen-2-one belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. 7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin is found in Angelica furcijuga, Canthium berberidifolium, Catunaregam obovata, Peucedanum praeruptorum DUNN., Catunaregam spinosa, Xeromphis obovata and Xeromphis spinosa . Based on a literature review very few articles have been published on 7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-2H-chromen-2-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304282209322D          

 34 37  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3731   -4.9455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1800   -5.1170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5156   -5.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5925   -4.4025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4130   -4.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8979   -4.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0405   -3.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -5.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  0  0  0  0
  2 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  1  0  0  0
 16 30  1  6  0  0  0
 15 31  1  1  0  0  0
 14 32  1  1  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END


  Mrv1652304282209322D          

 34 37  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3731   -4.9455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1800   -5.1170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5156   -5.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5925   -4.4025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4130   -4.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8979   -4.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0405   -3.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -5.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  0  0  0  0
  2 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  1  0  0  0
 16 30  1  6  0  0  0
 15 31  1  1  0  0  0
 14 32  1  1  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0063033

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O[C@@H]2O[C@@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)C=C2OC(=O)C=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H26O13/c1-29-10-4-8-2-3-14(23)31-9(8)5-11(10)32-21-19(28)17(26)16(25)13(34-21)7-30-20-18(27)15(24)12(6-22)33-20/h2-5,12-13,15-22,24-28H,6-7H2,1H3/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m1/s1

> <INCHI_KEY>
DZYQXXKWKCRGAY-MPYVZBHFSA-N

> <FORMULA>
C21H26O13

> <MOLECULAR_WEIGHT>
486.426

> <EXACT_MASS>
486.137340897

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.48686009186346

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-2H-chromen-2-one

> <ALOGPS_LOGP>
-1.01

> <JCHEM_LOGP>
-2.086445768999999

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.485255411398729

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.936814383667112

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981143337099244

> <JCHEM_POLAR_SURFACE_AREA>
193.82999999999998

> <JCHEM_REFRACTIVITY>
108.58790000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.74e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxychromen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -8.163  -9.232   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -9.669  -9.552   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -10.296 -10.959   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -10.439  -8.218   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -11.971  -8.057   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -12.876  -9.303   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -9.409  -7.074   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -7.019 -10.262   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
CONECT    1    2    6   33                                                  
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    4                                                       
CONECT   12    2   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15   32                                                  
CONECT   15   14   16   31                                                  
CONECT   16   15   17   30                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   13                                                       
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   28                                                  
CONECT   22   21   23   29                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   21                                                       
CONECT   29   22                                                            
CONECT   30   16                                                            
CONECT   31   15                                                            
CONECT   32   14                                                            
CONECT   33    1   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₆O₁₃

Average Mass

486.4260 Da

Monoisotopic Mass

486.13734 Da

IUPAC Name

7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-2H-chromen-2-one

Traditional Name

7-{[(2S,3S,4S,5S,6S)-6-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxychromen-2-one

CAS Registry Number

Not Available

SMILES

COC1=C(O[C@@H]2O[C@@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)C=C2OC(=O)C=CC2=C1

InChI Identifier

InChI=1S/C21H26O13/c1-29-10-4-8-2-3-14(23)31-9(8)5-11(10)32-21-19(28)17(26)16(25)13(34-21)7-30-20-18(27)15(24)12(6-22)33-20/h2-5,12-13,15-22,24-28H,6-7H2,1H3/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m1/s1

InChI Key

DZYQXXKWKCRGAY-MPYVZBHFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Angelica furcijuga	Plant	KNApSAcK
Canthium berberidifolium	Plant	KNApSAcK
Catunaregam obovata	LOTUS Database	35616633
Peucedanum praeruptorum DUNN.	Plant	KNApSAcK
Randia dumetorum	LOTUS Database	35616633
Xeromphis obovata	Plant	KNApSAcK
Xeromphis spinosa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Coumarin glycosides

Direct Parent

Coumarin glycosides

Alternative Parents

Substituents

Coumarin o-glycoside
Coumarin-7-o-glycoside
Phenolic glycoside
O-glycosyl compound
Glycosyl compound
Disaccharide
1-benzopyran
Benzopyran
Anisole
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Lactone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
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	ALOGPS
logP	-2.1	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	11.94	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	193.83 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	108.59 m³·mol⁻¹	ChemAxon
Polarizability	45.49 Å³	ChemAxon
Number of Rings	4	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

154496753

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin (NP0063033)

MOL for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

3D MOL for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

3D SDF for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

3D-SDF for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

PDB for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

3D PDB for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

SMILES for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

INCHI for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

Structure for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)

3D Structure for NP0063033 (7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin)