NP-MRD: Showing NP-Card for (2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one (NP0314611)

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Record Information

Version

2.0

Created at

2022-09-11 12:47:43 UTC

Updated at

2022-09-11 12:47:43 UTC

NP-MRD ID

NP0314611

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one

Description

Isatan B belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. (2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one is found in Isatis tinctoria and Persicaria tinctoria. (2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one was first documented in 2004 (PMID: 17191785). Based on a literature review a small amount of articles have been published on Isatan B (PMID: 31035058) (PMID: 20575402) (PMID: 18514538) (PMID: 15745425).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.2675    2.3472   -0.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    1.5315   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    1.6030    0.1736 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6425    2.4414   -0.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    0.1818    0.0674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4791    0.2306    0.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939   -0.0028   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096   -0.3068   -1.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8806   -0.4596   -1.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -0.2640   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762   -0.3016   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6409   -0.0524    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527    0.2344    1.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4829    0.2738    1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9119    0.0239    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6252   -0.6895    0.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.8379    0.1883 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6204   -2.0341    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   -2.0637   -0.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    0.4443    0.3086 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8703    0.3378   -0.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670    1.9203    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2474    2.5717   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286   -0.0607   -1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.4151   -2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914   -0.6927   -2.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6661   -0.5306   -1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7070   -0.0838    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715    0.4364    2.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185    0.4916    2.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -0.9888   -0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -2.0487    1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269   -2.9365    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6009   -1.9069    0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676    0.6254    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    0.9810    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  5  3  1  0
  3  4  1  0
  3  2  1  0
  2  1  2  0
  2 20  1  0
 20 21  1  0
 20 17  1  0
 15  7  1  0
 15 10  1  0
 19 34  1  0
 18 32  1  0
 18 33  1  0
 17 31  1  6
  5 24  1  6
  8 25  1  0
  9 26  1  0
 11 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
  3 22  1  1
  4 23  1  0
 20 35  1  1
 21 36  1  0
M  END


  Mrv1652309112214472D          

 21 23  0  0  1  0            999 V2000
   -1.8342   -1.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752   -1.7084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2203   -0.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    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
   -0.1781   -3.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -3.2777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2400   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -4.6754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -2.6646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3441   -2.8361    0.0000 O   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  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  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  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  7 15  1  0  0  0  0
 10 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0314611

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OC2=CNC3=CC=CC=C23)[C@H](O)C(=O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2/t10-,11-,13-,14-/m1/s1

> <INCHI_KEY>
AHWQTWBZNABQTO-HBJVGIJOSA-N

> <FORMULA>
C14H15NO6

> <MOLECULAR_WEIGHT>
293.275

> <EXACT_MASS>
293.089937207

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
28.39431104062341

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-4-one

> <JCHEM_LOGP>
0.11555056833333385

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.442856118958233

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.964523827362363

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9866476522594283

> <JCHEM_POLAR_SURFACE_AREA>
112.01

> <JCHEM_REFRACTIVITY>
70.50310000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  O   UNK     0      -3.424  -2.365   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.393  -3.509   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.887  -3.189   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.411  -1.724   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.143  -4.334   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.650  -4.013   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.333  -5.798   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.839  -6.118   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.315  -7.583   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.284  -8.727   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.869  -4.974   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.376  -5.294   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   16                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    7   10                                                  
CONECT   16    5   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17    2   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
Indoxyl-5-ketogluconate	MeSH

Chemical Formula

C₁₄H₁₅NO₆

Average Mass

293.2750 Da

Monoisotopic Mass

293.08994 Da

IUPAC Name

(2R,3R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-4-one

Traditional Name

(2R,3R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxan-4-one

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC2=CNC3=CC=CC=C23)[C@H](O)C(=O)[C@@H]1O

InChI Identifier

InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2/t10-,11-,13-,14-/m1/s1

InChI Key

AHWQTWBZNABQTO-HBJVGIJOSA-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
Isatis tinctoria	LOTUS Database	35616633
Persicaria tinctoria	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Indole
Indole or derivatives
Oxane
Substituted pyrrole
Benzenoid
Pyrrole
Heteroaromatic compound
Ketone
Cyclic ketone
Secondary alcohol
Azacycle
Organoheterocyclic compound
Oxacycle
Acetal
Organonitrogen compound
Aldehyde
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Primary alcohol
Alcohol
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	0.12	ChemAxon
pKa (Strongest Acidic)	10.96	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.01 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	70.5 m³·mol⁻¹	ChemAxon
Polarizability	28.39 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

C00001542

Chemspider ID

57490358

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101529308

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Nguyen TK, Marcelo P, Gontier E, Dauwe R: Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.). Phytochemistry. 2019 Jul;163:89-98. doi: 10.1016/j.phytochem.2019.04.006. Epub 2019 Apr 28. [PubMed:31035058 ]
Yang M, Liu Z, Su Z, Zou W: [Study on mechanism of precursors transforming into indigo and indirubin in blue-genera plants]. Zhongguo Zhong Yao Za Zhi. 2010 Apr;35(7):928-31. doi: 10.4268/cjcmm20100728. [PubMed:20575402 ]
Salvini M, Boccardi TM, Sani E, Bernardi R, Tozzi S, Pugliesi C, Durante M: Alpha-tryptophan synthase of Isatis tinctoria: gene cloning and expression. Plant Physiol Biochem. 2008 Jul;46(7):715-723. doi: 10.1016/j.plaphy.2008.04.002. Epub 2008 May 6. [PubMed:18514538 ]
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LOTUS database [Link]

Showing NP-Card for (2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one (NP0314611)

MOL for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

3D MOL for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

3D SDF for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

3D-SDF for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

PDB for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

3D PDB for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

SMILES for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

INCHI for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

Structure for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)

3D Structure for NP0314611 ((2r,3r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1h-indol-3-yloxy)oxan-4-one)