NP-MRD: Showing NP-Card for [(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid (NP0285154)

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Record Information

Version

2.0

Created at

2022-09-09 13:11:59 UTC

Updated at

2022-09-09 13:11:59 UTC

NP-MRD ID

NP0285154

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid

Description

2-[(4AR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-1H,4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review very few articles have been published on 2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-1H,4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
   -5.3765   -0.6130    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3658   -0.8356    0.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025    0.0895   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9956    1.4438   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2077    1.7352   -0.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634    2.4445   -0.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -0.1945   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -1.4201    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355   -2.5700    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026   -1.6001    0.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -2.8485    0.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065   -0.6225   -0.4035 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1998    0.7796   -0.3181 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1997    0.8634   -0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087    1.4869    0.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.6373    0.7618 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5113    3.0031    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    3.2678   -1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083    0.5488    0.0265 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0048    0.8496   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.7831    0.2101 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8556   -1.7255   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210    3.3721   -0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1707   -2.7321   -0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -2.4846    1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943   -3.4804    0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -3.6673   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -3.0282    1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3624   -2.8374    0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8348   -0.8852   -1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048    1.3309   -1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4079    1.5806    1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960    3.1196    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    3.7479    0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715    3.3093   -1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059    0.4106    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.1604   -1.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495   -0.9586    1.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -1.8939   -1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10 12  1  0
 12 21  1  0
 21 22  1  0
 21 19  1  0
 19 20  1  0
 19 16  1  0
 16 17  1  0
 17 18  1  0
 16 15  1  0
 15 13  1  0
 13 14  1  0
 14  7  1  0
  7  3  1  0
  3  2  2  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 13 12  1  0
 11 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  6
 21 38  1  1
 22 39  1  0
 19 36  1  1
 20 37  1  0
 16 32  1  1
 17 33  1  0
 17 34  1  0
 18 35  1  0
 13 31  1  6
  2  1  1  0
  6 23  1  0
  9 24  1  0
  9 25  1  0
  9 26  1  0
M  END


  Mrv1652309092215122D          

 21 22  0  0  1  0            999 V2000
    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
    0.0000    0.8250    0.0000 N   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
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    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
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  2  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  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 12 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
 10 19  1  0  0  0  0
 19 20  1  1  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0285154

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2OC(C(=N)C(O)=O)=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O7/c1-4-10(6(13)11(18)19)21-12-7(14(4)2)9(17)8(16)5(3-15)20-12/h5,7-9,12-13,15-17H,3H2,1-2H3,(H,18,19)/t5-,7-,8+,9-,12-/m1/s1

> <INCHI_KEY>
WSWRZDSZMARMQJ-GXIXWSSHSA-N

> <FORMULA>
C12H18N2O7

> <MOLECULAR_WEIGHT>
302.283

> <EXACT_MASS>
302.111400928

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
28.415612623251466

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-1H,4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid

> <JCHEM_LOGP>
-4.45090276119906

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.892362245480289

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.9116260612255509

> <JCHEM_PKA_STRONGEST_BASIC>
10.19450234875129

> <JCHEM_POLAR_SURFACE_AREA>
143.54000000000002

> <JCHEM_REFRACTIVITY>
80.7524

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000  -3.080   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10   20                                                  
CONECT   20   19    2   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
2-[(4AR,6R,7R,8R,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-1H,4ah,6H,7H,8H,8ah-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetate	Generator

Chemical Formula

C₁₂H₁₈N₂O₇

Average Mass

302.2830 Da

Monoisotopic Mass

302.11140 Da

IUPAC Name

2-[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-1H,4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl]-2-iminoacetic acid

Traditional Name

[(4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4aH,6H,7H,8H,8aH-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid

CAS Registry Number

Not Available

SMILES

CN1[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2OC(C(=N)C(O)=O)=C1C

InChI Identifier

InChI=1S/C12H18N2O7/c1-4-10(6(13)11(18)19)21-12-7(14(4)2)9(17)8(16)5(3-15)20-12/h5,7-9,12-13,15-17H,3H2,1-2H3,(H,18,19)/t5-,7-,8+,9-,12-/m1/s1

InChI Key

WSWRZDSZMARMQJ-GXIXWSSHSA-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 aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Fatty acyl
Oxane
Monosaccharide
Amino acid
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Ketimine
Amino acid or derivatives
1,2-aminoalcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Enamine
Carboxylic acid
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Imine
Carbonyl group
Amine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-4.5	ChemAxon
pKa (Strongest Acidic)	-0.91	ChemAxon
pKa (Strongest Basic)	10.19	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	143.54 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	80.75 m³·mol⁻¹	ChemAxon
Polarizability	28.42 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

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

163195566

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for [(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid (NP0285154)

MOL for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

3D MOL for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

3D SDF for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

3D-SDF for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

PDB for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

3D PDB for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

SMILES for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

INCHI for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

Structure for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)

3D Structure for NP0285154 ([(4ar,6r,7r,8r,8ar)-7,8-dihydroxy-6-(hydroxymethyl)-1,2-dimethyl-4ah,6h,7h,8h,8ah-pyrano[2,3-b][1,4]oxazin-3-yl](imino)acetic acid)