NP-MRD: Showing NP-Card for (2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate (NP0299665)

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Record Information

Version

2.0

Created at

2022-09-10 11:37:16 UTC

Updated at

2022-09-10 11:37:16 UTC

NP-MRD ID

NP0299665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate

Description

(2Z,4R,8S,9R,11R)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]Tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on (2Z,4R,8S,9R,11R)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]Tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102213372D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309102213372D          

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    4.3883   -1.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5376   -2.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2322   -2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967   -2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816   -3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6041    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39  2  1  1  0  0  0
  6 39  1  0  0  0  0
 28 40  1  0  0  0  0
 11 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0299665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)OC(=C(CC3=C(O)C(C)=CC(C(C)=O)=C3O)C2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C30H32O10/c1-7-13(2)28(36)39-22-11-30(6)27(35)20(10-19-24(33)14(3)8-18(16(5)32)25(19)34)26(40-30)17(12-31)9-21-23(22)15(4)29(37)38-21/h7-9,21-23,31,33-34H,4,10-12H2,1-3,5-6H3/b13-7-,17-9-/t21-,22-,23-,30-/m1/s1

> <INCHI_KEY>
LSNAPVWIIXPAED-HKUNWGHSSA-N

> <FORMULA>
C30H32O10

> <MOLECULAR_WEIGHT>
552.576

> <EXACT_MASS>
552.19954723

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
56.52683142485445

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z,4R,8S,9R,11R)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_LOGP>
3.8776619840000004

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.036051462226604

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.999324513165608

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7905030808358413

> <JCHEM_POLAR_SURFACE_AREA>
156.66

> <JCHEM_REFRACTIVITY>
146.46069999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z,4R,8S,9R,11R)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      10.132  -1.941   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.656  -0.476   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.561   0.770   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      12.101   0.770   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       9.656   2.016   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.191   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.286   2.786   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.822   3.262   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.822   4.802   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.155   5.572   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.357   2.786   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.452   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.987   2.016   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.667   3.522   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.202   3.998   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.942   2.968   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.118   5.504   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.582   5.980   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.027   6.535   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.491   6.059   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.636   7.090   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.316   8.596   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.100   6.614   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.811   4.553   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.276   4.077   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.452  -0.000   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.987  -0.476   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.357  -1.246   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.452  -2.492   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.822  -1.722   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.286  -1.246   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.191  -2.492   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.565  -3.899   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.470  -5.145   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.034  -4.060   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.128  -2.814   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.407  -5.466   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.312  -6.712   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.191  -0.000   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.861   0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   39                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   40                                                  
CONECT   12   11   13   26                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   24                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   20   14   25                                                  
CONECT   25   24                                                            
CONECT   26   12   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30   40                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   39                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37                                                            
CONECT   39   31    2    6                                                  
CONECT   40   28   11                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
(2Z,4R,8S,9R,11R)-13-[(3-Acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0,]tetradeca-1(13),2-dien-9-yl (2Z)-2-methylbut-2-enoic acid	Generator

Chemical Formula

C₃₀H₃₂O₁₀

Average Mass

552.5760 Da

Monoisotopic Mass

552.19955 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)OC(=C(CC3=C(O)C(C)=CC(C(C)=O)=C3O)C2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]12

InChI Identifier

InChI=1S/C30H32O10/c1-7-13(2)28(36)39-22-11-30(6)27(35)20(10-19-24(33)14(3)8-18(16(5)32)25(19)34)26(40-30)17(12-31)9-21-23(22)15(4)29(37)38-21/h7-9,21-23,31,33-34H,4,10-12H2,1-3,5-6H3/b13-7-,17-9-/t21-,22-,23-,30-/m1/s1

InChI Key

LSNAPVWIIXPAED-HKUNWGHSSA-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 terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Alkyl-phenylketone
Phenylketone
Acetophenone
Aryl alkyl ketone
Aryl ketone
Resorcinol
P-cresol
O-cresol
Benzoyl
Toluene
Phenol
Fatty acid ester
Fatty acyl
Benzenoid
Gamma butyrolactone
3-furanone
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Vinylogous ester
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Dihydrofuran
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
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

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

163186654

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate (NP0299665)

MOL for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

PDB for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

Structure for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0299665 ((2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate)