NP-MRD: Showing NP-Card for (3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate (NP0216841)

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Record Information

Version

2.0

Created at

2022-09-05 16:58:05 UTC

Updated at

2022-09-05 16:58:06 UTC

NP-MRD ID

NP0216841

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate

Description

D-glucosyl indole-3-carboxylate, also known as 1-(indol-3-ylcarbonyl)-D-glucose or i3co2GLC, belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. D-glucosyl indole-3-carboxylate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate is found in Arabidopsis thaliana. Based on a literature review very few articles have been published on D-glucosyl indole-3-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.1589    1.3826   -0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.1261   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0078   -0.5303   -0.1849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    0.1799   -0.1839 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8455   -0.0919    1.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842    0.5384    1.0786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5321    0.5602    2.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7786    1.1926    2.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081   -0.3265    0.2243 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3143    0.1047    0.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.2269   -1.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0698   -1.3314   -1.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.1249   -1.3777 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8299    0.7973   -2.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -0.5752   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.9258   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0581   -2.1642   -0.1929 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190   -0.9678   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601   -0.6482   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555    0.6746   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    1.6643   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1728    1.3279   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349    0.0146   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459    1.2902   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    1.5459    0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5497   -0.4623    2.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718    1.1256    3.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0871    1.1888    3.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8473   -1.3731    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8933   -0.4113   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635    0.6629   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6390   -2.1752   -1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7156   -1.1102   -1.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522    1.5697   -2.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984   -2.7143   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -3.0915   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8037   -1.4181   -0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5269    0.9441   -0.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8127    2.6910   -0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    2.0875   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  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  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  4 13  1  0
 13 14  1  0
 13 11  1  0
 11 12  1  0
 11  9  1  0
  9 10  1  0
  9  6  1  0
 23 15  1  0
 23 18  1  0
  8 28  1  0
  7 26  1  0
  7 27  1  0
  6 25  1  6
  4 24  1  1
 16 35  1  0
 17 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 13 33  1  6
 14 34  1  0
 11 31  1  6
 12 32  1  0
  9 29  1  1
 10 30  1  0
M  END


  Mrv1652309052218582D          

 23 25  0  0  1  0            999 V2000
    1.4358   -2.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739   -3.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -4.5039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6710   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -5.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -4.6754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9429   -5.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -4.0623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0470   -4.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -3.2777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5371   -2.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   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  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  1  0  0  0
  2 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 15 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0216841

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1OC(OC(=O)C2=CNC3=CC=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H17NO7/c17-6-10-11(18)12(19)13(20)15(22-10)23-14(21)8-5-16-9-4-2-1-3-7(8)9/h1-5,10-13,15-20H,6H2/t10-,11-,12+,13-,15?/m1/s1

> <INCHI_KEY>
OQZPHKHJQADXAS-CKMVWSRUSA-N

> <FORMULA>
C15H17NO7

> <MOLECULAR_WEIGHT>
323.301

> <EXACT_MASS>
323.100501891

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.04123819767098

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1H-indole-3-carboxylate

> <JCHEM_LOGP>
-0.3384773763333331

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.421545648767733

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.849579767817817

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810938238994806

> <JCHEM_POLAR_SURFACE_AREA>
132.24

> <JCHEM_REFRACTIVITY>
76.8319

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1H-indole-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0       2.680  -5.158   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.143  -4.334   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.333  -5.798   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.698  -6.943   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.222  -8.407   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.253  -9.552   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.777 -11.016   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.284  -8.727   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.760 -10.192   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.315  -7.583   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.821  -7.903   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.839  -6.118   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.869  -4.974   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   13                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    4   14                                                  
CONECT   14   13                                                            
CONECT   15    2   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   15   18                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
1-(indol-3-Ylcarbonyl)-D-glucose	ChEBI
I3co2GLC	ChEBI
D-Glucosyl indole-3-carboxylic acid	Generator

Chemical Formula

C₁₅H₁₇NO₇

Average Mass

323.3010 Da

Monoisotopic Mass

323.10050 Da

IUPAC Name

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1H-indole-3-carboxylate

Traditional Name

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1H-indole-3-carboxylate

CAS Registry Number

Not Available

SMILES

OC[C@H]1OC(OC(=O)C2=CNC3=CC=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C15H17NO7/c17-6-10-11(18)12(19)13(20)15(22-10)23-14(21)8-5-16-9-4-2-1-3-7(8)9/h1-5,10-13,15-20H,6H2/t10-,11-,12+,13-,15?/m1/s1

InChI Key

OQZPHKHJQADXAS-CKMVWSRUSA-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
Arabidopsis thaliana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolecarboxylic acids and derivatives

Direct Parent

Indolecarboxylic acids and derivatives

Alternative Parents

Substituents

Hexose monosaccharide
Indolecarboxylic acid derivative
Indole
Pyrrole-3-carboxylic acid or derivatives
Monosaccharide
Oxane
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Vinylogous amide
Pyrrole
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Polyol
Azacycle
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Alcohol
Organic nitrogen compound
Primary alcohol
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

D-glucoside (CHEBI:65021 )
O-acyl carbohydrate (CHEBI:65021 )
indolyl carbohydrate (CHEBI:65021 )

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	-0.34	ChemAxon
pKa (Strongest Acidic)	11.85	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	132.24 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	76.83 m³·mol⁻¹	ChemAxon
Polarizability	31.04 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

28532789

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

66655952

PDB ID

Not Available

ChEBI ID

65021

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate (NP0216841)

MOL for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

3D MOL for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

3D SDF for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

3D-SDF for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

PDB for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

3D PDB for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

SMILES for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

INCHI for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

Structure for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)

3D Structure for NP0216841 ((3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1h-indole-3-carboxylate)