NP-MRD: Showing NP-Card for Neoascorbigen (NP0081862)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-29 02:55:45 UTC

Updated at

2022-04-29 02:55:45 UTC

NP-MRD ID

NP0081862

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Neoascorbigen

Description

(3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxy-1H-indol-3-yl)methyl]-hexahydrofuro[3,2-b]furan-2-one belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Neoascorbigen is found in Brassica spp. and Thellungiella halophila. Based on a literature review very few articles have been published on (3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxy-1H-indol-3-yl)methyl]-hexahydrofuro[3,2-b]furan-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
   -4.2902    1.5011    2.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1927    0.5998    2.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4776    0.4378    1.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3004    0.9877    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8885    0.5919   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524    0.9860   -1.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232   -0.0382   -1.1302 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0953   -1.2424   -1.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    0.6031   -1.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070    0.4108   -3.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    1.4803   -0.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957    0.8902    0.3797 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3368    0.2879    0.6933 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6595    0.4702    2.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523   -1.1442    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255   -1.4395    0.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0738   -0.2735    0.2164 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0794   -0.3315    1.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.2512   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -0.9555   -2.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2341   -1.7154   -2.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1983   -1.8092   -1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -1.1031   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8795   -0.3314    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9866    2.5202    2.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0681    1.1275    3.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.5817    1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631    1.6500    1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796    1.8993   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209    1.3791   -2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9426   -1.8889   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739    1.6374    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    0.7431    0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4619    1.0730    2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590   -1.3642   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786   -1.7687    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4337    2.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3466   -0.9015   -2.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608   -2.2613   -3.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1015   -2.4257   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7676   -1.1796    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
  5 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 17  7  1  0
 24 19  1  0
 17 12  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  6 29  1  0
  6 30  1  0
  8 31  1  0
 12 32  1  1
 13 33  1  6
 14 34  1  0
 15 35  1  0
 15 36  1  0
 18 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
M  END


  Mrv1652304292204552D          

 24 27  0  0  1  0            999 V2000
   -3.7289    3.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740    2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0260    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8330    2.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0879    3.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5359    3.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    3.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0615    4.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0615    4.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7760    5.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    2.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    1.4224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9846    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096    0.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    0.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.3425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7150    1.1675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9304    1.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304    0.0876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6755   -0.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141    1.8349    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  6  0  0  0
 18 23  1  6  0  0  0
 13 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0081862

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CON1C=C(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@]23O)C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1

> <INCHI_KEY>
RZRVFWGHJJZBJQ-XNISGKROSA-N

> <FORMULA>
C16H17NO7

> <MOLECULAR_WEIGHT>
335.312

> <EXACT_MASS>
335.100501891

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.24933292303595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxy-1H-indol-3-yl)methyl]-hexahydrofuro[3,2-b]furan-2-one

> <ALOGPS_LOGP>
0.25

> <JCHEM_LOGP>
0.12025626933333389

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.265405556845778

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.642102785675624

> <JCHEM_PKA_STRONGEST_BASIC>
-3.579832917842916

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
80.81240000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxyindol-3-yl)methyl]-dihydro-5H-furo[3,2-b]furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      -6.961   6.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.485   5.308   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.515   4.164   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.022   4.484   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.497   5.948   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.467   7.093   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.945   5.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.469   6.773   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -5.715   7.678   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      -5.715   9.218   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.048   9.988   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.040   4.062   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.666   2.655   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.571   1.409   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -7.111   1.409   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.666   0.163   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.201   0.639   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.201   2.179   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.737   2.655   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.832   1.409   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.737   0.163   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.261  -1.301   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -3.201   3.719   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -6.000   3.425   0.000  0.00  0.00           O+0
CONECT    1    2    6    9                                                  
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    2    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8    1   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    7   13                                                       
CONECT   13   12   14   18   24                                             
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   13   19   23                                             
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   17   22                                                  
CONECT   22   21                                                            
CONECT   23   18                                                            
CONECT   24   13                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₇NO₇

Average Mass

335.3120 Da

Monoisotopic Mass

335.10050 Da

IUPAC Name

(3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxy-1H-indol-3-yl)methyl]-hexahydrofuro[3,2-b]furan-2-one

Traditional Name

(3S,3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1-methoxyindol-3-yl)methyl]-dihydro-5H-furo[3,2-b]furan-2-one

CAS Registry Number

Not Available

SMILES

CON1C=C(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@]23O)C2=CC=CC=C12

InChI Identifier

InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1

InChI Key

RZRVFWGHJJZBJQ-XNISGKROSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Brassica spp.	Plant	KNApSAcK
Thellungiella halophila	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furofurans

Sub Class

Isosorbides

Direct Parent

Isosorbides

Alternative Parents

Substituents

Isosorbide
3-alkylindole
Indole
Indole or derivatives
Gamma butyrolactone
Monosaccharide
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Tertiary alcohol
Pyrrole
Oxolane
Carboxylic acid ester
Hemiacetal
Secondary alcohol
Lactone
Carboxylic acid derivative
Oxacycle
Azacycle
Polyol
Monocarboxylic acid or derivatives
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
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	0.25	ALOGPS
logP	0.12	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	9.64	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	80.81 m³·mol⁻¹	ChemAxon
Polarizability	32.25 Å³	ChemAxon
Number of Rings	4	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

9568402

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11393500

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Neoascorbigen (NP0081862)

MOL for NP0081862 (Neoascorbigen)

3D MOL for NP0081862 (Neoascorbigen)

3D SDF for NP0081862 (Neoascorbigen)

3D-SDF for NP0081862 (Neoascorbigen)

PDB for NP0081862 (Neoascorbigen)

3D PDB for NP0081862 (Neoascorbigen)

SMILES for NP0081862 (Neoascorbigen)

INCHI for NP0081862 (Neoascorbigen)

Structure for NP0081862 (Neoascorbigen)

3D Structure for NP0081862 (Neoascorbigen)