NP-MRD: Showing NP-Card for 10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one (NP0320665)

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Record Information

Version

2.0

Created at

2022-09-11 22:26:47 UTC

Updated at

2022-09-11 22:26:47 UTC

NP-MRD ID

NP0320665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one

Description

10,12-Dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]Trideca-1(13),9,11-trien-8-one belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Based on a literature review very few articles have been published on 10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]Trideca-1(13),9,11-trien-8-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    5.8015    1.1233    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4911    0.5936   -0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    0.6911    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1221    0.1410   -0.0333 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2893   -1.3051   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059   -1.6879   -0.5463 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3707   -1.1185   -1.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9934   -0.8328   -1.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130   -0.7831   -3.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -0.6000   -0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816   -0.6561    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592   -0.4427    1.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -0.1791    1.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993    0.0380    2.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8997   -0.1180    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2539    0.1489    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6276    1.5286    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1337   -0.3280   -0.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6783   -0.2811   -2.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499   -0.9183    0.6168 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0104    0.2364    0.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.4818   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3666    0.3473    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6215    2.0173    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215   -0.4171   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    1.2497   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    0.1354    1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    1.7465    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849    0.7152   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -1.4034   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7270   -1.9276    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490   -2.7630   -0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771   -0.4920    2.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520   -0.0066    3.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9754    1.9897   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3943    2.0621    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6838    1.6364   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6473   -0.0960   -2.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -1.5257    1.5379 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 11 20  1  0
 20 21  1  0
 21  4  1  0
 20  6  1  0
 18 10  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  6
  5 30  1  0
  5 31  1  0
  6 32  1  1
 12 33  1  0
 14 34  1  0
 17 35  1  0
 17 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  1
M  END


  Mrv1652309122200262D          

 21 23  0  0  0  0            999 V2000
   -4.0082    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270   -2.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5876   -2.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6769   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9361    0.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161   -0.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8468   -2.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150   -0.1434    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  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
 12 13  2  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
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0320665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC1CC2OC(=O)C3=C(C=C(O)C(OC)=C3O)C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O6/c1-3-4-7-5-10-13(20-7)8-6-9(16)14(19-2)12(17)11(8)15(18)21-10/h6-7,10,13,16-17H,3-5H2,1-2H3

> <INCHI_KEY>
ZXWQOPCWRZRWHP-UHFFFAOYSA-N

> <FORMULA>
C15H18O6

> <MOLECULAR_WEIGHT>
294.303

> <EXACT_MASS>
294.1103383

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
30.470828316101517

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-8-one

> <JCHEM_LOGP>
2.7578076843333337

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.827911730256911

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.98801847605526

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1554321052254464

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
73.887

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.482   0.045   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.173  -0.767   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.816  -0.039   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.507  -0.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.394  -2.386   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.898  -2.753   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.170  -4.110   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.369  -4.158   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.097  -5.515   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.180  -2.849   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.452  -1.492   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.263  -0.183   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.803  -0.231   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.614   1.078   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.531  -1.588   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.070  -1.636   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.881  -0.327   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.719  -2.897   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.447  -4.254   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.087  -1.444   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.081  -0.268   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   18                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   10   19                                                  
CONECT   19   18                                                            
CONECT   20   11    6   21                                                  
CONECT   21   20    4                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₈O₆

Average Mass

294.3030 Da

Monoisotopic Mass

294.11034 Da

IUPAC Name

10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-8-one

Traditional Name

10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-8-one

CAS Registry Number

Not Available

SMILES

CCCC1CC2OC(=O)C3=C(C=C(O)C(OC)=C3O)C2O1

InChI Identifier

InChI=1S/C15H18O6/c1-3-4-7-5-10-13(20-7)8-6-9(16)14(19-2)12(17)11(8)15(18)21-10/h6-7,10,13,16-17H,3-5H2,1-2H3

InChI Key

ZXWQOPCWRZRWHP-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents

Substituents

Dihydroxybenzoic acid
Benzopyran
Isochromane
2-benzopyran
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monosaccharide
Vinylogous acid
Tetrahydrofuran
Carboxylic acid ester
Lactone
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen 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	2.76	ChemAxon
pKa (Strongest Acidic)	8.99	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	73.89 m³·mol⁻¹	ChemAxon
Polarizability	30.47 Å³	ChemAxon
Number of Rings	3	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

163030696

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one (NP0320665)

MOL for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D MOL for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D SDF for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D-SDF for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

PDB for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D PDB for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

SMILES for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

INCHI for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

Structure for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D Structure for NP0320665 (10,12-dihydroxy-11-methoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)