NP-MRD: Showing NP-Card for (4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one (NP0294579)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-10 03:11:37 UTC

Updated at

2022-09-10 03:11:38 UTC

NP-MRD ID

NP0294579

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one

Description

Kinsenoside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one is found in Anoectochilus formosanus, Anoectochilus koshunensis and Crocus sativus. (4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one was first documented in 2021 (PMID: 35115920). Based on a literature review a small amount of articles have been published on Kinsenoside (PMID: 35749827) (PMID: 35340214) (PMID: 35126163) (PMID: 35066108).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.9565    2.3582    1.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904    1.4001    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784    0.0363    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963   -0.3785   -0.4781 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0575    0.1787   -0.3131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135   -0.7235   -0.2172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7849   -0.5817   -1.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973    0.2069   -1.1855 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4030    1.6464   -1.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239    1.9581   -2.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210    0.0111    0.0361 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0252   -0.3561   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -1.1481    0.8223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8112   -1.3612    2.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800   -0.7215    1.0996 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1686   -1.6849    1.9581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    0.2882   -1.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    1.4822   -1.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6205    0.0600    1.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881   -0.5922    0.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177   -1.4739   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -1.7412   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706    0.1478   -2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2268    2.3555   -0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    1.7213   -0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    2.7946   -2.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7150    0.8974    0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3956   -0.8074    0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0626   -2.0481    0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -2.3474    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688    0.2729    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -2.1010    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    0.6217   -2.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631   -0.3705   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4 17  1  0
 17 18  1  0
 18  2  1  0
  2  1  2  0
  2  3  1  0
  6 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  1  0
 13 11  1  0
 11 12  1  0
 11  8  1  0
  3  4  1  0
 10 26  1  0
  9 24  1  0
  9 25  1  0
  8 23  1  6
  6 22  1  6
  4 21  1  6
 17 33  1  0
 17 34  1  0
  3 19  1  0
  3 20  1  0
 15 31  1  1
 16 32  1  0
 13 29  1  6
 14 30  1  0
 11 27  1  1
 12 28  1  0
M  END


  Mrv1652309102205112D          

 18 19  0  0  1  0            999 V2000
    2.0367   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -3.9898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0835   -4.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -5.4109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2329   -6.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533   -5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -5.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5919   -6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -4.8297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6221   -4.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -4.0760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2932   -3.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 O   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  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  6  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
  8 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  1  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0294579

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1

> <INCHI_KEY>
MQEPWBMWFIVRPS-ZGSHZZHUSA-N

> <FORMULA>
C10H16O8

> <MOLECULAR_WEIGHT>
264.23

> <EXACT_MASS>
264.084517475

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
23.84750890839579

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one

> <JCHEM_LOGP>
-2.540280487

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.20004389003082

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210442440063574

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083553403314

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
53.9289

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  O   UNK     0       3.802  -0.885   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.802  -2.425   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.048  -3.330   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.572  -4.795   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.477  -6.041   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.851  -7.448   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.756  -8.693   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.129 -10.100   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.035 -11.346   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.566 -11.185   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.598 -10.261   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.972 -11.668   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.693  -9.015   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.161  -9.176   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.319  -7.609   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.414  -6.363   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.032  -4.795   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.556  -3.330   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   15                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    6   16                                                  
CONECT   16   15                                                            
CONECT   17    4   18                                                       
CONECT   18   17    2                                                       
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

View in JSmol

Synonyms

Value	Source
3-Glucopyranosyloxybutanolide	MeSH

Chemical Formula

C₁₀H₁₆O₈

Average Mass

264.2300 Da

Monoisotopic Mass

264.08452 Da

IUPAC Name

(4R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one

Traditional Name

(4R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1

InChI Key

MQEPWBMWFIVRPS-ZGSHZZHUSA-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

Species Name	Source	Reference
Anoectochilus formosanus	LOTUS Database	35616633
Anoectochilus koshunensis	LOTUS Database	35616633
Crocus sativus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Gamma butyrolactone
Monosaccharide
Oxane
Oxolane
Carboxylic acid ester
Lactone
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Acetal
Carboxylic acid derivative
Polyol
Hydrocarbon derivative
Alcohol
Organic oxide
Carbonyl group
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	-2.5	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	53.93 m³·mol⁻¹	ChemAxon
Polarizability	23.85 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

Not Available

KNApSAcK ID

C00030621

Chemspider ID

8598325

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10422896

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Deng YF, Xu QQ, Chen TQ, Ming JX, Wang YF, Mao LN, Zhou JJ, Sun WG, Zhou Q, Ren H, Zhang YH: Kinsenoside alleviates inflammation and fibrosis in experimental NASH mice by suppressing the NF-kappaB/NLRP3 signaling pathway. Phytomedicine. 2022 Sep;104:154241. doi: 10.1016/j.phymed.2022.154241. Epub 2022 Jun 15. [PubMed:35749827 ]
Yang Y, Zhong ZT, Xiao YG, Chen HB: The Activation of AMPK/NRF2 Pathway in Lung Epithelial Cells Is Involved in the Protective Effects of Kinsenoside on Lipopolysaccharide-Induced Acute Lung Injury. Oxid Med Cell Longev. 2022 Mar 18;2022:3589277. doi: 10.1155/2022/3589277. eCollection 2022. [PubMed:35340214 ]
Nie X, Yu Q, Li L, Yi M, Wu B, Huang Y, Zhang Y, Han H, Yuan X: Kinsenoside Protects Against Radiation-Induced Liver Fibrosis via Downregulating Connective Tissue Growth Factor Through TGF-beta1 Signaling. Front Pharmacol. 2022 Jan 21;13:808576. doi: 10.3389/fphar.2022.808576. eCollection 2022. [PubMed:35126163 ]
Gao L, Chen X, Fu Z, Yin J, Wang Y, Sun W, Ren H, Zhang Y: Kinsenoside Alleviates Alcoholic Liver Injury by Reducing Oxidative Stress, Inhibiting Endoplasmic Reticulum Stress, and Regulating AMPK-Dependent Autophagy. Front Pharmacol. 2022 Jan 18;12:747325. doi: 10.3389/fphar.2021.747325. eCollection 2021. [PubMed:35115920 ]
Xiang M, Liu T, Tian C, Ma K, Gou J, Huang R, Li S, Li Q, Xu C, Li L, Lee CH, Zhang Y: Kinsenoside attenuates liver fibro-inflammation by suppressing dendritic cells via the PI3K-AKT-FoxO1 pathway. Pharmacol Res. 2022 Mar;177:106092. doi: 10.1016/j.phrs.2022.106092. Epub 2022 Jan 21. [PubMed:35066108 ]
LOTUS database [Link]

Showing NP-Card for (4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one (NP0294579)

MOL for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

3D MOL for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

3D SDF for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

3D-SDF for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

PDB for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

3D PDB for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

SMILES for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

INCHI for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

Structure for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)

3D Structure for NP0294579 ((4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-one)