NP-MRD: Showing NP-Card for 3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid (NP0294884)

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Record Information

Version

2.0

Created at

2022-09-10 03:37:32 UTC

Updated at

2022-09-10 03:37:32 UTC

NP-MRD ID

NP0294884

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

Description

3-Chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]Hept-3-en-3-yl]benzene-1-carboximidic acid belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring. 3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid is found in Amycolatopsis sulphurea. 3-Chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]Hept-3-en-3-yl]benzene-1-carboximidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.5367    0.7985   -0.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    0.1443   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -0.5910    0.7740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795   -0.6228    0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7242   -1.8050    0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2088   -1.8696    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8183   -2.9211    0.4296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7486   -0.5607   -0.1054 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5799   -0.2248   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327    0.9968   -1.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5088    0.3146    0.5464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092    0.3075    1.0585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9345    0.6606    0.7314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4336    1.3941    1.8634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174    0.1491    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.5665    1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4936   -0.5908    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2991    0.1292    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523    0.8469   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8392    1.7645   -1.5592 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3671    0.8747   -0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    1.6339   -1.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384   -1.1503    1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065   -2.6903    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6385   -0.1758   -1.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305   -1.0558   -2.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7280    1.7114   -1.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286   -0.1957    2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7154    1.3167   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464    2.3628    1.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -1.1428    1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926   -1.1835    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3718    0.1243    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    1.8166   -2.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  8  9  1  6
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
 12  8  1  0
 21 15  1  0
  6  8  1  0
 10 27  1  0
  9 25  1  0
  9 26  1  0
 12 28  1  1
 13 29  1  6
 14 30  1  0
  3 23  1  0
 16 31  1  0
 17 32  1  0
 18 33  1  0
 22 34  1  0
  5 24  1  0
M  END


  Mrv1533004251515242D          

 22 24  0  0  0  0            999 V2000
   -0.7612   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0487    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0294884

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC12OC1C(O)C(NC(=O)C1=CC=CC(Cl)=C1O)=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H12ClNO6/c15-7-3-1-2-6(10(7)19)13(21)16-8-4-9(18)14(5-17)12(22-14)11(8)20/h1-4,11-12,17,19-20H,5H2,(H,16,21)

> <INCHI_KEY>
CQWDZNQKJPNNJB-UHFFFAOYSA-N

> <FORMULA>
C14H12ClNO6

> <MOLECULAR_WEIGHT>
325.7

> <EXACT_MASS>
325.0353148

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
30.10961186303894

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

> <ALOGPS_LOGP>
0.97

> <JCHEM_LOGP>
0.48408415733333365

> <ALOGPS_LOGS>
-1.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.05571825664465

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.251946979628872

> <JCHEM_PKA_STRONGEST_BASIC>
-3.188735095748453

> <JCHEM_POLAR_SURFACE_AREA>
119.39

> <JCHEM_REFRACTIVITY>
76.59859999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  O   UNK     0      -1.421  -2.874   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.119  -2.874   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.889  -1.540   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.445  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.889  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.223   0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.223   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.556  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.556  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.223  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.223  -3.850   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       4.890   0.770   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       4.890   2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.556   3.080   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.224   3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.224   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.558   5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.891   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.891   3.080   0.000  0.00  0.00           C+0
HETATM   20 Cl   UNK     0      10.225   2.310   0.000  0.00  0.00          Cl+0
HETATM   21  C   UNK     0       7.558   2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.558   0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   10                                             
CONECT    4    3    5                                                       
CONECT    5    4    3    6                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    8   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
3-Chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzene-1-carboximidate	Generator

Chemical Formula

C₁₄H₁₂ClNO₆

Average Mass

325.7000 Da

Monoisotopic Mass

325.03531 Da

IUPAC Name

3-chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

Traditional Name

3-chloro-2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide

CAS Registry Number

Not Available

SMILES

OCC12OC1C(O)C(NC(=O)C1=CC=CC(Cl)=C1O)=CC2=O

InChI Identifier

InChI=1S/C14H12ClNO6/c15-7-3-1-2-6(10(7)19)13(21)16-8-4-9(18)14(5-17)12(22-14)11(8)20/h1-4,11-12,17,19-20H,5H2,(H,16,21)

InChI Key

CQWDZNQKJPNNJB-UHFFFAOYSA-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
Amycolatopsis sulphurea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

2-chlorophenol
1-hydroxy-4-unsubstituted benzenoid
Cyclohexenone
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Monocyclic benzene moiety
Ketone
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Organohalogen compound
Organochloride
Organonitrogen compound
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
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	0.97	ALOGPS
logP	0.48	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	6.25	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	119.39 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	76.6 m³·mol⁻¹	ChemAxon
Polarizability	30.11 Å³	ChemAxon
Number of Rings	3	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

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

78301693

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid (NP0294884)

MOL for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

3D MOL for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

3D SDF for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

3D-SDF for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

PDB for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

3D PDB for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

SMILES for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

INCHI for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

Structure for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)

3D Structure for NP0294884 (3-chloro-2-hydroxy-n-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid)