NP-MRD: Showing NP-Card for p-Hydroxyphenethyl trans-ferulate (NP0078056)

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Record Information

Version

2.0

Created at

2022-04-28 23:11:31 UTC

Updated at

2022-04-28 23:11:31 UTC

NP-MRD ID

NP0078056

Secondary Accession Numbers

None

Natural Product Identification

Common Name

p-Hydroxyphenethyl trans-ferulate

Description

P-Hydroxyphenethyl trans-ferulate belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. P-Hydroxyphenethyl trans-ferulate is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, p-Hydroxyphenethyl trans-ferulate has been detected, but not quantified in, herbs and spices. p-Hydroxyphenethyl trans-ferulate is found in Angelica gigas, Angelica sinensis , Atropa acuminata, Chaerophyllum hirsutum, Coriandrum sativum, Glehnia littoralis, Heracleum maximum, Hansenia forbesii, Oenanthe javanica , Sida spinosa and Zygophyllum album . This could make p-hydroxyphenethyl trans-ferulate a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.1256   -2.1168   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -0.7755   -0.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5909    0.2269    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254   -0.0753    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130    0.9282    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8755    0.6949    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918   -0.4647    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -0.5970    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -1.7575    0.0962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900    0.4798    0.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3879    0.3741    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073   -0.0933   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3782   -0.2326   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -1.4571   -0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2609   -1.6934   -0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111   -0.6614   -0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4783   -0.8943   -0.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5929    0.5641   -1.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2355    0.7661   -1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.2195    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1244    2.5341    0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355    1.5166    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4025    1.7535    0.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978   -2.5914    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0139   -2.7051   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2961   -2.1953   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.0911   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932    1.5354    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -1.3279    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788    1.2873    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017   -0.4075    1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6435    0.6036   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4776   -1.0628   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2741   -2.2902   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7033   -2.6376   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9835   -0.6850   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2406    1.3594   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8463    1.7224   -1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0689    3.0101    0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4827    3.5539    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    2.6827    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 22  2  0
 22 23  1  0
 22 21  1  0
 21 20  2  0
 20  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  5  4  2  0
  4  3  1  0
 19 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 41  1  0
 21 40  1  0
 20 39  1  0
  6 28  1  0
  7 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 17 36  1  0
 18 37  1  0
 19 38  1  0
  4 27  1  0
M  END


  Mrv0541 05061306422D          

 23 24  0  0  0  0            999 V2000
    2.8579    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    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
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 C   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
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    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
   -3.5724    3.7125    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
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    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
   -5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.3625    0.0000 O   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    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 11 10  1  0  0  0  0
 13  2  2  0  0  0  0
 13  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  2  0  0  0  0
 22  1  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0078056

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC(\C=C\C(=O)OCCC2=CC=C(O)C=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+

> <INCHI_KEY>
JMSFLLZUCIXALN-WEVVVXLNSA-N

> <FORMULA>
C18H18O5

> <MOLECULAR_WEIGHT>
314.3325

> <EXACT_MASS>
314.115423686

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
33.77984269179677

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
3.16

> <JCHEM_LOGP>
3.7636460626666666

> <ALOGPS_LOGS>
-4.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.023884397719568

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.347661371641264

> <JCHEM_PKA_STRONGEST_BASIC>
-4.888719674964705

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
87.62159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       5.335  12.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.002   7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668   5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336   5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  10.010   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.669   4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.668  10.010   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334   5.390   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001  11.550   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667   7.700   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2    6   13                                                       
CONECT    3    7   13                                                       
CONECT    4    8   14                                                       
CONECT    5    9   14                                                       
CONECT    6    2   15                                                       
CONECT    7    3   15                                                       
CONECT    8    4   16                                                       
CONECT    9    5   18                                                       
CONECT   10   11   13                                                       
CONECT   11   10   23                                                       
CONECT   12   14   17                                                       
CONECT   13    2    3   10                                                  
CONECT   14    4    5   12                                                  
CONECT   15    6    7   19                                                  
CONECT   16    8   17   20                                                  
CONECT   17   12   16   22                                                  
CONECT   18    9   21   23                                                  
CONECT   19   15                                                            
CONECT   20   16                                                            
CONECT   21   18                                                            
CONECT   22    1   17                                                       
CONECT   23   11   18                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
p-Hydroxyphenethyl trans-ferulic acid	Generator
Hydroxyphenethylferulate	HMDB
2-(4-Hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid	Generator
p-Hydroxyphenethyl trans-ferulate	MeSH

Chemical Formula

C₁₈H₁₈O₅

Average Mass

314.3325 Da

Monoisotopic Mass

314.11542 Da

IUPAC Name

2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OCCC2=CC=C(O)C=C2)=C1

InChI Identifier

InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+

InChI Key

JMSFLLZUCIXALN-WEVVVXLNSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Angelica gigas	LOTUS Database	35616633
Angelica sinensis	Plant	KNApSAcK
Atropa acuminata	LOTUS Database	35616633
Chaerophyllum hirsutum	Plant	KNApSAcK
Coriandrum sativum	LOTUS Database	35616633
Glehnia littoralis	LOTUS Database	35616633
Heracleum lanatum	LOTUS Database	35616633
Notopterygium franchetii	LOTUS Database	35616633
Oenanthe javanica	Plant	KNApSAcK
Sida spinosa	LOTUS Database	35616633
Zygophyllum album	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Substituents

Coumaric acid or derivatives
Cinnamic acid ester
Methoxyphenol
Tyrosol derivative
Phenoxy compound
Anisole
Phenol ether
Methoxybenzene
Styrene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Carbonyl group
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	3.16	ALOGPS
logP	3.76	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	9.35	ChemAxon
pKa (Strongest Basic)	-4.9	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	7	ChemAxon
Refractivity	87.62 m³·mol⁻¹	ChemAxon
Polarizability	33.78 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

HMDB0032806

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB010780

KNApSAcK ID

Not Available

Chemspider ID

552938

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

637308

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for p-Hydroxyphenethyl trans-ferulate (NP0078056)

MOL for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

3D MOL for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

3D SDF for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

3D-SDF for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

PDB for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

3D PDB for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

SMILES for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

INCHI for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

Structure for NP0078056 (p-Hydroxyphenethyl trans-ferulate)

3D Structure for NP0078056 (p-Hydroxyphenethyl trans-ferulate)