NP-MRD: Showing NP-Card for methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate (NP0312876)

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Record Information

Version

2.0

Created at

2022-09-11 10:01:53 UTC

Updated at

2022-09-11 10:01:54 UTC

NP-MRD ID

NP0312876

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate

Description

Methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate 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 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate is found in Moringa oleifera. Methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    7.4819   -0.2408   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7393   -0.3066   -0.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553   -0.3409   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.3129   -1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.4085    1.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148   -0.4339    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3852   -1.5805    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372   -1.4808    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -0.2660    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961   -0.2312    0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590    0.8537    0.1838 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8342    0.8142    1.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    0.9311    0.7496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0061    0.4512    1.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5601    0.2334   -0.4688 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3948   -0.8664   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946   -0.2358   -1.3163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8324   -1.3284   -0.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    0.8869   -1.2356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3078    0.6816   -2.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    0.8703    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578    0.7752    0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275    0.3147   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -1.2682   -1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    0.2793   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026   -1.3376    1.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820    0.4337    1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987   -2.5169    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -2.3688    0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    1.8037    0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3627    2.0208    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1260   -0.6394    1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9679    0.9945    1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5347    0.7065    2.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1772    0.8909   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3152   -0.4935   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060   -0.4658   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4979   -2.0546   -0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8753    1.8398   -1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -0.1740   -2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188    1.8486    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839    1.7215    1.0392 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  2  0
 22  6  1  0
 19 11  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  5 26  1  0
  5 27  1  0
  7 28  1  0
  8 29  1  0
 11 30  1  1
 13 31  1  6
 14 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  6
 16 36  1  0
 17 37  1  6
 18 38  1  0
 19 39  1  6
 20 40  1  0
 21 41  1  0
 22 42  1  0
M  END


  Mrv1533004161513052D          

 22 23  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   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
    1.4289   -1.6500    0.0000 C   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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0312876

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)CC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O7/c1-8-12(17)13(18)14(19)15(21-8)22-10-5-3-9(4-6-10)7-11(16)20-2/h3-6,8,12-15,17-19H,7H2,1-2H3

> <INCHI_KEY>
YEKSIXXVRSTZLX-UHFFFAOYSA-N

> <FORMULA>
C15H20O7

> <MOLECULAR_WEIGHT>
312.318

> <EXACT_MASS>
312.120902984

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.438461582872982

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate

> <ALOGPS_LOGP>
0.31

> <JCHEM_LOGP>
0.2321647129999999

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.268673179579697

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.213623015375129

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003585840474

> <JCHEM_POLAR_SURFACE_AREA>
105.45000000000002

> <JCHEM_REFRACTIVITY>
74.71630000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.48e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   11   20                                                  
CONECT   20   19                                                            
CONECT   21    9   22                                                       
CONECT   22   21    6                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
Methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetic acid	Generator

Chemical Formula

C₁₅H₂₀O₇

Average Mass

312.3180 Da

Monoisotopic Mass

312.12090 Da

IUPAC Name

methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate

Traditional Name

methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate

CAS Registry Number

Not Available

SMILES

COC(=O)CC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1

InChI Identifier

InChI=1S/C15H20O7/c1-8-12(17)13(18)14(19)15(21-8)22-10-5-3-9(4-6-10)7-11(16)20-2/h3-6,8,12-15,17-19H,7H2,1-2H3

InChI Key

YEKSIXXVRSTZLX-UHFFFAOYSA-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
Moringa oleifera	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
Hexose monosaccharide
O-glycosyl compound
Phenoxy compound
Phenol ether
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Methyl ester
Carboxylic acid ester
Secondary alcohol
Polyol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
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	0.31	ALOGPS
logP	0.23	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	74.72 m³·mol⁻¹	ChemAxon
Polarizability	31.44 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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

72756699

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate (NP0312876)

MOL for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

3D MOL for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

3D SDF for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

3D-SDF for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

PDB for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

3D PDB for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

SMILES for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

INCHI for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

Structure for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)

3D Structure for NP0312876 (methyl 2-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}acetate)