NP-MRD: Showing NP-Card for methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate (NP0211012)

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Record Information

Version

2.0

Created at

2022-09-05 09:05:43 UTC

Updated at

2022-09-05 09:05:43 UTC

NP-MRD ID

NP0211012

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate

Description

(+)-Goniothalesdiol belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate is found in Goniothalamus borneensis. methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate was first documented in 2004 (PMID: 15058944). Based on a literature review a significant number of articles have been published on (+)-Goniothalesdiol (PMID: 16819228) (PMID: 25865074) (PMID: 21243696) (PMID: 20297827) (PMID: 16626158) (PMID: 16288545).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
    5.9323    0.9989   -0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    0.6242   -0.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603   -0.5029   -0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983   -1.1858   -1.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -0.9208    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713   -0.6840   -0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089   -1.1562    0.0972 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7987   -0.9805   -0.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8135   -0.9160    0.3930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8050    0.1245    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.1912   -1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1751    1.1182   -1.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7048    2.0363   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2663    1.9759    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3348    1.0312    0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1776   -0.8613    1.7276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8900   -2.1850    2.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -0.2996    1.3298 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1032    1.0240    0.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6290    1.5731   -0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156    1.6226   -1.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4595    0.1138   -1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476   -0.3530    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.9898    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6293   -1.3383   -1.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634    0.3497   -1.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5817   -2.2013    0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3577   -1.9025    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8673   -0.5026   -1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5286    1.1774   -2.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4359    2.7656   -1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6889    2.6995    1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369    1.0296    1.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -0.3047    2.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700   -2.8274    1.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504   -0.4756    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    1.1317   -0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  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
 18  7  1  0
 15 10  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  1
  9 28  1  1
 16 34  1  1
 17 35  1  0
 18 36  1  1
 19 37  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
M  END


  Mrv1652309052211052D          

 19 20  0  0  1  0            999 V2000
   -1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -5.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -3.7706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -5.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111   -5.0081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5648   -4.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168   -5.2856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9373   -5.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728   -4.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0933   -4.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5782   -5.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2427   -5.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4222   -5.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043   -6.0001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0399   -6.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973   -5.8286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2842   -6.3806    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  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
 10 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0211012

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)CC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H18O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10,12-14,16-17H,7-8H2,1H3/t10-,12+,13-,14+/m0/s1

> <INCHI_KEY>
RUDVTXZKYPJLFH-AHLTXXRQSA-N

> <FORMULA>
C14H18O5

> <MOLECULAR_WEIGHT>
266.293

> <EXACT_MASS>
266.11542368

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.681455290059137

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate

> <JCHEM_LOGP>
0.6859131706666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.210544351225618

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.780078797025766

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6159017427050406

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
67.2296

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate

> <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  C   UNK     0      -3.288  -8.578   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.954  -9.348   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.620  -8.578   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.620  -7.038   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.713  -9.348   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.047  -8.578   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.381  -9.348   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.788  -8.722   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.818  -9.867   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.350  -9.706   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.976  -8.299   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.508  -8.138   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.413  -9.384   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.786 -10.790   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.255 -10.951   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.048 -11.200   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.674 -12.607   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.542 -10.880   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.397 -11.910   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    9   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    7   19                                                  
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

View in JSmol

Synonyms

Value	Source
Goniothalesdiol	MeSH

Chemical Formula

C₁₄H₁₈O₅

Average Mass

266.2930 Da

Monoisotopic Mass

266.11542 Da

IUPAC Name

methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate

Traditional Name

methyl 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate

CAS Registry Number

Not Available

SMILES

COC(=O)CC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C14H18O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10,12-14,16-17H,7-8H2,1H3/t10-,12+,13-,14+/m0/s1

InChI Key

RUDVTXZKYPJLFH-AHLTXXRQSA-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
Goniothalamus borneensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
C-glycosyl compound
Pentose monosaccharide
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Monosaccharide
Methyl ester
Oxolane
1,2-diol
Carboxylic acid ester
Secondary alcohol
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	0.69	ChemAxon
pKa (Strongest Acidic)	12.78	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	67.23 m³·mol⁻¹	ChemAxon
Polarizability	27.68 Å³	ChemAxon
Number of Rings	2	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

8236988

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10061436

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lan YH, Chang FR, Yang YL, Wu YC: New constituents from stems of Goniothalamus amuyon. Chem Pharm Bull (Tokyo). 2006 Jul;54(7):1040-3. doi: 10.1248/cpb.54.1040. [PubMed:16819228 ]
Suchaichit N, Kanokmedhakul K, Panthama N, Poopasit K, Moosophon P, Kanokmedhakul S: A 2H-tetrahydropyran derivative and bioactive constituents from the bark of Goniothalamus elegants Ast. Fitoterapia. 2015 Jun;103:206-12. doi: 10.1016/j.fitote.2015.04.005. Epub 2015 Apr 10. [PubMed:25865074 ]
Hernandez-Torres G, Carreno MC, Urbano A, Colobert F: The effect of sulfoxides on the stereoselective construction of tetrahydrofurans: total synthesis of (+)-goniothalesdiol. Chemistry. 2011 Jan 24;17(4):1283-93. doi: 10.1002/chem.201002637. Epub 2010 Dec 10. [PubMed:21243696 ]
Kang B, Chang S, Decker S, Britton R: Regioselective and stereoselective cyclizations of chloropolyols in water: rapid synthesis of hydroxytetrahydrofurans. Org Lett. 2010 Apr 16;12(8):1716-9. doi: 10.1021/ol100260z. [PubMed:20297827 ]
Prasad KR, Gholap SL: Stereoselective synthesis of (+)-goniothalesdiol. J Org Chem. 2006 Apr 28;71(9):3643-5. doi: 10.1021/jo060159f. [PubMed:16626158 ]
Carreno MC, Hernandez-Torres G, Urbano A, Colobert F: Total stereoselective synthesis of (+)-goniothalesdiol. Org Lett. 2005 Nov 24;7(24):5517-20. doi: 10.1021/ol0523603. [PubMed:16288545 ]
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LOTUS database [Link]

Showing NP-Card for methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate (NP0211012)

MOL for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

3D MOL for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

3D SDF for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

3D-SDF for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

PDB for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

3D PDB for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

SMILES for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

INCHI for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

Structure for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)

3D Structure for NP0211012 (methyl 3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoate)