NP-MRD: Showing NP-Card for [(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate (NP0186364)

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Record Information

Version

1.0

Created at

2022-09-04 02:11:41 UTC

Updated at

2022-09-04 02:11:41 UTC

NP-MRD ID

NP0186364

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate

Description

Cissoside III belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. It was first documented in 2022 (PMID: 36057789). Based on a literature review a significant number of articles have been published on Cissoside III (PMID: 36057448) (PMID: 36057421) (PMID: 36057440) (PMID: 36057753) (PMID: 36057616) (PMID: 36057549).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042204112D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309042204112D          

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    6.4302   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -2.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4521   -2.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.7445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8974   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  6  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 21 38  1  0  0  0  0
 38 39  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  2  0  0  0  0
  8 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
  6 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0186364

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](OC2=CC=C3OC(C4=CC=C(O)C(O)=C4)=C(O[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)C(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O16/c1-9-18(32)22(36)24(38)27(40-9)42-15-6-5-14-17(19(15)33)21(35)26(25(41-14)11-3-4-12(30)13(31)7-11)44-28-23(37)20(34)16(43-28)8-39-10(2)29/h3-7,9,16,18,20,22-24,27-28,30-34,36-38H,8H2,1-2H3/t9-,16-,18-,20-,22+,23+,24+,27-,28-/m0/s1

> <INCHI_KEY>
FQWPUSFOXKIWJB-JZHHZRDPSA-N

> <FORMULA>
C28H30O16

> <MOLECULAR_WEIGHT>
622.532

> <EXACT_MASS>
622.153384886

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
59.45669617441778

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S,3R,4R,5S)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate

> <JCHEM_LOGP>
-0.29453307033333304

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.60013097548765

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.544751947106528

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003788304493

> <JCHEM_POLAR_SURFACE_AREA>
251.35999999999996

> <JCHEM_REFRACTIVITY>
143.06520000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3R,4R,5S)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       1.328 -12.295   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.954 -10.888   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.486 -10.727   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       1.049  -9.643   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.675  -8.236   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.770  -6.990   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.246  -5.525   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -1.246  -5.525   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -2.711  -5.049   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -0.770  -6.990   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -1.675  -8.236   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   43                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   41                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   39                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   12                                                       
CONECT   20   11   21                                                       
CONECT   21   20   22   38                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   36                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   34                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   26   35                                                  
CONECT   35   34                                                            
CONECT   36   24   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   21   39                                                  
CONECT   39   38   10   40                                                  
CONECT   40   39                                                            
CONECT   41    8   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41    6   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₀O₁₆

Average Mass

622.5320 Da

Monoisotopic Mass

622.15338 Da

IUPAC Name

[(2S,3R,4R,5S)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate

Traditional Name

[(2S,3R,4R,5S)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](OC2=CC=C3OC(C4=CC=C(O)C(O)=C4)=C(O[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)C(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C28H30O16/c1-9-18(32)22(36)24(38)27(40-9)42-15-6-5-14-17(19(15)33)21(35)26(25(41-14)11-3-4-12(30)13(31)7-11)44-28-23(37)20(34)16(43-28)8-39-10(2)29/h3-7,9,16,18,20,22-24,27-28,30-34,36-38H,8H2,1-2H3/t9-,16-,18-,20-,22+,23+,24+,27-,28-/m0/s1

InChI Key

FQWPUSFOXKIWJB-JZHHZRDPSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Phenolic glycoside
O-glycosyl compound
Glycosyl compound
Chromone
1-benzopyran
Benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Benzenoid
Pyran
Oxane
Monosaccharide
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	-0.29	ChemAxon
pKa (Strongest Acidic)	7.54	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	251.36 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	143.07 m³·mol⁻¹	ChemAxon
Polarizability	59.46 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

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

102516584

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Agarwal K, Saikia P, Podder I: Metabolic syndrome and Dyslipidemia in xanthelasma palpebrarum and associated risk-factors- a case-control study. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15353. [PubMed:36057448 ]
Rashid N, Krakow EF, Yeh A, Oshima MU, Onstad L, Connelly-Smith L, Vo P, Mielcarek M, Lee SJ: Late effects of severe acute GVHD on quality of life, medical comorbidities and survival. Transplant Cell Ther. 2022 Aug 31. pii: S2666-6367(22)01594-9. doi: 10.1016/j.jtct.2022.08.027. [PubMed:36057421 ]
Castellanos-Ortega A, Broch MJ, Palacios-Castaneda D, Gomez-Tello V, Valdivia M, Vicent C, Madrid I, Martinez N, Parraga MJ, Sancho E, Fuentes-Dura MDC, Sancerni-Beitia MD, Garcia-Ros R: Competency assessment of residents of Intensive Care Medicine through a simulation-based objective structured clinical evaluation (OSCE). A multicenter observational study. Med Intensiva (Engl Ed). 2022 Sep;46(9):491-500. doi: 10.1016/j.medine.2022.01.001. [PubMed:36057440 ]
Ogawa A, Kojima F, Miyake Y, Yoshimura M, Ishijima N, Iyoda S, Sekine Y, Yamanaka Y, Yamamoto K: Regulation of constant cell elongation and Sfm pili synthesis in Escherichia coli via two active forms of FimZ orphan response regulator. Genes Cells. 2022 Nov;27(11):657-674. doi: 10.1111/gtc.12982. Epub 2022 Sep 18. [PubMed:36057789 ]
Liu Q, Palmgren VAC, Danen EH, Le Devedec SE: Acute vs. chronic vs. intermittent hypoxia in breast Cancer: a review on its application in in vitro research. Mol Biol Rep. 2022 Nov;49(11):10961-10973. doi: 10.1007/s11033-022-07802-6. Epub 2022 Sep 3. [PubMed:36057753 ]
Ebenau JL, Visser D, Kroeze LA, van Leeuwenstijn MSSA, van Harten AC, Windhorst AD, Golla SVS, Boellaard R, Scheltens P, Barkhof F, van Berckel BNM, van der Flier WM: Longitudinal change in ATN biomarkers in cognitively normal individuals. Alzheimers Res Ther. 2022 Sep 3;14(1):124. doi: 10.1186/s13195-022-01069-6. [PubMed:36057616 ]
Beogo I, Bationo NJ, Sia D, Collin S, Kinkumba Ramazani B, Letourneau AA, Ramde J, Gagnon MP, Tchouaket EN: COVID-19 pandemic or chaos time management: first-line worker shortage - a qualitative study in three Canadian Provinces. BMC Geriatr. 2022 Sep 3;22(1):727. doi: 10.1186/s12877-022-03419-3. [PubMed:36057549 ]
Chakraborty S, Bhattacharjee S, Tiwari B, Jaishwal T, Singh SS, Mishra AK: Deciphering the mechanisms of zinc tolerance in the cyanobacterium Anabaena sphaerica and its zinc bioremediation potential. Environ Sci Pollut Res Int. 2023 Jan;30(4):9591-9608. doi: 10.1007/s11356-022-22388-z. Epub 2022 Sep 3. [PubMed:36057058 ]
Chi Z, Ju S, Liu X, Sun F, Zhu Y: Graphene oxide supported sulfidated nano zero-valent iron (S-nZVI@GO) for antimony removal: The role of active oxygen species and reaction mechanism. Chemosphere. 2022 Dec;308(Pt 1):136253. doi: 10.1016/j.chemosphere.2022.136253. Epub 2022 Aug 31. [PubMed:36057347 ]
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Hui Z, Chang M, Hu M: Sensitive analysis of pneumonia related small extracellular vesicles (sEVs) through Exo-III assisted catalytic DNA amplification. Anal Biochem. 2022 Nov 1;656:114875. doi: 10.1016/j.ab.2022.114875. Epub 2022 Aug 31. [PubMed:36057365 ]
Cho SH, Lim KH: Conservative treatment of blunt traumatic right renal venous pseudoaneurysm: A case report. Int J Surg Case Rep. 2022 Sep;98:107572. doi: 10.1016/j.ijscr.2022.107572. Epub 2022 Aug 31. [PubMed:36057247 ]
Wang Q, Zhang M, Li R, Jiang XT: Does marine environmental research meet the challenges of marine pollution induced by the COVID-19 pandemic? Comparison analysis before and during the pandemic based on bibliometrics. Mar Pollut Bull. 2022 Oct;183:114046. doi: 10.1016/j.marpolbul.2022.114046. Epub 2022 Aug 15. [PubMed:36057155 ]
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LOTUS database [Link]

Showing NP-Card for [(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate (NP0186364)

MOL for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

3D MOL for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

3D SDF for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

3D-SDF for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

PDB for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

3D PDB for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

SMILES for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

INCHI for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

Structure for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)

3D Structure for NP0186364 ([(2s,3r,4r,5s)-5-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate)