NP-MRD: Showing NP-Card for 3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate (NP0316913)

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Record Information

Version

2.0

Created at

2022-09-11 16:25:22 UTC

Updated at

2022-09-11 16:25:22 UTC

NP-MRD ID

NP0316913

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate

Description

3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate is found in Styrax agrestis. Based on a literature review very few articles have been published on 3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112218252D          

 43 46  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309112218252D          

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    0.1105  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263  -12.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408  -11.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842  -11.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987  -10.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131  -10.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131   -9.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8276   -8.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8276  -10.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6122  -10.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0971  -10.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9221  -10.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346  -10.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1596  -10.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5721  -10.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1596  -11.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346  -11.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7117  -12.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4653  -11.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3791  -11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6122  -11.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8276  -11.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131  -11.7952    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  1  0  0  0  0
  4  5  1  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
  9  8  1  4  0  0  0
  9 10  2  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 31 41  2  0  0  0  0
 41 42  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  2  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0316913

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC=CCC=CCCCCCCCC(=O)OCCCC1=CC(OC)=C2OC(=CC2=C1)C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3

> <INCHI_KEY>
NHCDDUNWYVJRPS-UHFFFAOYSA-N

> <FORMULA>
C37H48O6

> <MOLECULAR_WEIGHT>
588.785

> <EXACT_MASS>
588.345089266

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
71.19055485269207

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate

> <JCHEM_LOGP>
10.217385926

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.954909728658054

> <JCHEM_POLAR_SURFACE_AREA>
67.13000000000001

> <JCHEM_REFRACTIVITY>
173.34139999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate

> <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  C   UNK     0      -7.796 -14.318   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.462 -15.088   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.462 -16.628   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.128 -17.398   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.128 -18.938   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.795 -19.708   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.795 -21.248   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.461 -22.018   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.127 -21.248   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.206 -22.018   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.540 -21.248   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.874 -22.018   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.207 -21.248   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.541 -22.018   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.875 -21.248   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.208 -22.018   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.542 -21.248   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.876 -22.018   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.876 -23.558   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      12.209 -21.248   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.543 -22.018   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.877 -21.248   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.210 -22.018   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.544 -21.248   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      17.544 -19.708   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      18.878 -18.938   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      18.878 -17.398   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      20.212 -16.628   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.212 -19.708   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      21.676 -19.232   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      22.581 -20.478   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      24.121 -20.478   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      24.891 -19.144   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.431 -19.144   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      27.201 -20.478   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      26.431 -21.811   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.891 -21.811   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      27.462 -22.956   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      28.869 -22.329   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      28.708 -20.798   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      21.676 -21.724   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      20.212 -21.248   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      18.878 -22.018   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                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   43                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   42                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   41                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36   32                                                       
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   35                                                       
CONECT   41   31   42                                                       
CONECT   42   41   29   43                                                  
CONECT   43   42   24                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Value	Source
3-[2-(2H-1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoic acid	Generator

Chemical Formula

C₃₇H₄₈O₆

Average Mass

588.7850 Da

Monoisotopic Mass

588.34509 Da

IUPAC Name

3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate

Traditional Name

3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate

CAS Registry Number

Not Available

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OCCCC1=CC(OC)=C2OC(=CC2=C1)C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3

InChI Key

NHCDDUNWYVJRPS-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
Styrax agrestis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Neolignan skeleton
Octadecanoid
Benzodioxole
Benzofuran
Anisole
Alkyl aryl ether
Fatty acid ester
Fatty acyl
Benzenoid
Heteroaromatic compound
Furan
Carboxylic acid ester
Acetal
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Ether
Monocarboxylic acid or derivatives
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
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	10.22	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	67.13 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	173.34 m³·mol⁻¹	ChemAxon
Polarizability	71.19 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

76372449

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate (NP0316913)

MOL for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

3D MOL for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

3D SDF for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

3D-SDF for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

PDB for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

3D PDB for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

SMILES for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

INCHI for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

Structure for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)

3D Structure for NP0316913 (3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate)