NP-MRD: Showing NP-Card for ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate (NP0175422)

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Record Information

Version

2.0

Created at

2022-09-03 12:53:12 UTC

Updated at

2022-09-03 12:53:12 UTC

NP-MRD ID

NP0175422

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate

Description

Ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate is found in Neophaeosphaeria quadriseptata. Ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 45  0  0  0  0  0  0  0  0999 V2000
    5.9836   -0.6674   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0767   -0.9622    1.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -0.9020    1.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676   -1.8711    1.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580   -1.6061    0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -0.2727    0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403   -0.0775   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684    1.2645   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    2.1717    0.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702    1.7236   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    3.1249   -1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    4.0409   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431    3.6395   -1.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    2.8388   -1.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2049    3.3823   -2.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485    1.4673   -1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092    0.9097   -1.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334   -0.5121   -0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422   -0.9498   -0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9832   -1.3102   -1.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7003   -0.9451    0.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9797   -1.3433    1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1781   -2.8507    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6534    0.3486   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605   -1.4163   -0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0137   -0.8459   -0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848   -0.2567    1.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4357   -2.0202    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136    0.1245    1.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075   -1.1063    3.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0582   -2.9352    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428   -2.4215    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    0.5778    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307   -0.9884   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941    4.0904   -0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226    4.7301   -1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3530    4.3673   -2.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7389    0.8237   -2.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548   -1.1362   -1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -0.5913    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1378   -1.1107    2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7838   -0.8349    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1872   -3.1546    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644   -3.3815    1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0699   -3.1558   -0.0433 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  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 17 10  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  7 34  1  0
 12 35  1  0
 13 36  1  0
 15 37  1  0
 16 38  1  0
 18 39  1  0
 18 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 23 44  1  0
 23 45  1  0
M  END


  Mrv1533004191520552D          

 23 23  0  0  0  0            999 V2000
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   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
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    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
    1.4289    1.6500    0.0000 C   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
    0.7145    2.8875    0.0000 O   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
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   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
    2.1434    1.2375    0.0000 C   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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    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
  4  3  1  4  0  0  0
  4  5  2  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0175422

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC=CC=CC(=O)C1=C(O)C=C(O)C=C1CC(=O)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h6-10,12,19,21H,3-5,11H2,1-2H3

> <INCHI_KEY>
KQWFRRUUTPESMK-UHFFFAOYSA-N

> <FORMULA>
C18H22O5

> <MOLECULAR_WEIGHT>
318.369

> <EXACT_MASS>
318.146723808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
34.693930258327285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate

> <ALOGPS_LOGP>
4.07

> <JCHEM_LOGP>
4.273493996333333

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.670496574583256

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.037654619221566

> <JCHEM_PKA_STRONGEST_BASIC>
-6.636390171464323

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
91.0897

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334   0.770   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334   5.390   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.668   5.390   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.335  -1.540   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.668   0.770   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   17                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
Ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetic acid	Generator

Chemical Formula

C₁₈H₂₂O₅

Average Mass

318.3690 Da

Monoisotopic Mass

318.14672 Da

IUPAC Name

ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate

Traditional Name

ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate

CAS Registry Number

Not Available

SMILES

CCCC=CC=CC(=O)C1=C(O)C=C(O)C=C1CC(=O)OCC

InChI Identifier

InChI=1S/C18H22O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h6-10,12,19,21H,3-5,11H2,1-2H3

InChI Key

KQWFRRUUTPESMK-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
Neophaeosphaeria quadriseptata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Benzoyl
Aryl ketone
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Acryloyl-group
Vinylogous acid
Alpha,beta-unsaturated ketone
Enone
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	4.07	ALOGPS
logP	4.27	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	7.04	ChemAxon
pKa (Strongest Basic)	-6.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	91.09 m³·mol⁻¹	ChemAxon
Polarizability	34.69 Å³	ChemAxon
Number of Rings	1	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

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate (NP0175422)

MOL for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

3D MOL for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

3D SDF for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

3D-SDF for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

PDB for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

3D PDB for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

SMILES for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

INCHI for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

Structure for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)

3D Structure for NP0175422 (ethyl 2-[3,5-dihydroxy-2-(octa-2,4-dienoyl)phenyl]acetate)