NP-MRD: Showing NP-Card for (1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid (NP0304431)

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Record Information

Version

2.0

Created at

2022-09-10 19:31:22 UTC

Updated at

2022-09-10 19:31:22 UTC

NP-MRD ID

NP0304431

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid

Description

(1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid 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. (1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid is found in Passiflora perfoliata. Based on a literature review very few articles have been published on (1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.1724    2.1928    0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564    1.4094   -0.1873 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    0.3090   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3544   -0.6489   -1.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    0.0577    0.4594 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7415   -1.0167    1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    1.2694    1.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004    1.6389    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    0.7007    0.0122 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2354   -0.0253    0.5645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549    0.1381   -0.1716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8698    0.7232    0.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    0.4774    0.3825 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7904   -0.5250    1.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4886    0.1281   -1.0469 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7925   -0.4199   -1.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5798   -0.8818   -1.6432 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9199   -0.2821   -2.7411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4831   -1.2001   -0.6373 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4858   -1.9824   -1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960   -0.1968   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8092   -1.4736   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -0.6366    2.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.8136    1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255    2.5324    1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860    1.2342   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582    0.8249   -1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.4515    0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -1.4391    0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6698   -0.1233    1.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.8010    2.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5569    1.0529   -1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    0.0216   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -1.7988   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415    0.4467   -3.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492   -1.7328    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -2.0328   -2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.0576   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -1.2635   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9 21  1  0
 21  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  2  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
 11 19  1  0
 19 20  1  0
 19 17  1  0
 17 18  1  0
 17 15  1  0
 15 16  1  0
 15 13  1  0
  8  9  1  0
 14 29  1  0
 14 30  1  0
 14 31  1  0
 13 28  1  1
 11 27  1  6
  9 26  1  6
 21 38  1  0
 21 39  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  4 22  1  0
  2  1  1  0
 19 36  1  1
 20 37  1  0
 17 34  1  6
 18 35  1  0
 15 32  1  6
 16 33  1  0
M  END


  Mrv1652309102221312D          

 20 21  0  0  1  0            999 V2000
    2.7938    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3088    1.0341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4884    0.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.6153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1830    1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.1965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1270    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2665    4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1624    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445    3.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4174    4.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3390    2.3690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8541    3.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    2.4552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4950    3.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444    1.7878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4649    1.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
  6 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0304431

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H19NO7/c1-5-7(14)8(15)9(16)10(19-5)20-6-2-3-12(18,4-6)11(13)17/h2-3,5-10,14-16,18H,4H2,1H3,(H2,13,17)/t5-,6+,7+,8-,9-,10+,12-/m1/s1

> <INCHI_KEY>
GPZMIKUAENZFTI-YWLQGOTPSA-N

> <FORMULA>
C12H19NO7

> <MOLECULAR_WEIGHT>
289.284

> <EXACT_MASS>
289.116151956

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
28.015914322380844

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid

> <JCHEM_LOGP>
-4.32355441367678

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.433347308651186

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.492340756425264

> <JCHEM_PKA_STRONGEST_BASIC>
11.870815662109747

> <JCHEM_POLAR_SURFACE_AREA>
143.46

> <JCHEM_REFRACTIVITY>
76.86180000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid

> <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  C   UNK     0       5.215   0.684   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.310   1.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.778   1.769   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.873   3.015   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.342   2.854   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.564   4.100   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.104   4.100   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.580   5.565   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   6.470   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.364   7.614   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.303   7.614   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       1.203   7.294   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0      -0.779   9.079   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -0.088   5.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.499   4.422   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.594   5.668   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.031   4.583   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.657   5.990   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.936   3.337   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.468   3.498   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   14                                             
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9    6                                                       
CONECT   15    4   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    2   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Value	Source
(1S,4R)-1-Hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidate	Generator

Chemical Formula

C₁₂H₁₉NO₇

Average Mass

289.2840 Da

Monoisotopic Mass

289.11615 Da

IUPAC Name

(1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid

Traditional Name

(1S,4R)-1-hydroxy-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C12H19NO7/c1-5-7(14)8(15)9(16)10(19-5)20-6-2-3-12(18,4-6)11(13)17/h2-3,5-10,14-16,18H,4H2,1H3,(H2,13,17)/t5-,6+,7+,8-,9-,10+,12-/m1/s1

InChI Key

GPZMIKUAENZFTI-YWLQGOTPSA-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
Passiflora perfoliata	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

Hexose monosaccharide
O-glycosyl compound
Monosaccharide
Oxane
Tertiary alcohol
Secondary alcohol
Acetal
Carboximidic acid
Carboximidic acid derivative
Oxacycle
Polyol
Organoheterocyclic compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Alcohol
Organic nitrogen compound
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	-4.3	ChemAxon
pKa (Strongest Acidic)	-3.5	ChemAxon
pKa (Strongest Basic)	11.87	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	143.46 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	76.86 m³·mol⁻¹	ChemAxon
Polarizability	28.02 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

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

163082222

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid (NP0304431)

MOL for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

3D MOL for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

3D SDF for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

3D-SDF for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

PDB for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

3D PDB for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

SMILES for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

INCHI for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

Structure for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)

3D Structure for NP0304431 ((1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid)