NP-MRD: Showing NP-Card for (3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid (NP0181879)

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Record Information

Version

2.0

Created at

2022-09-03 20:28:42 UTC

Updated at

2022-09-03 20:28:42 UTC

NP-MRD ID

NP0181879

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid

Description

(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]Nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid is found in Leucetta chagosensis. Based on a literature review very few articles have been published on (3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]Nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032222282D          

 35 37  0  0  1  0            999 V2000
    3.6324    3.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1785    1.0794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9883    1.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3864   -0.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309032222282D          

 35 37  0  0  1  0            999 V2000
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 15 16  1  1  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 17 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  6  0  0  0
  2 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0181879

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CC(O)=O)\C=C\[C@@H](O)[C@@H]1O[C@@H]2C[C@@H]1OC(=O)[C@@H]1O[C@H](C[C@H]1C)[C@H](O)[C@H](O)\C=C/C=C(Cl)/[C@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C24H33ClO10/c1-11(8-19(28)29)6-7-15(27)23-18-10-17(34-23)20(30)13(25)4-3-5-14(26)21(31)16-9-12(2)22(33-16)24(32)35-18/h3-7,11-12,14-18,20-23,26-27,30-31H,8-10H2,1-2H3,(H,28,29)/b5-3-,7-6+,13-4-/t11-,12+,14+,15+,16+,17+,18-,20+,21+,22+,23-/m0/s1

> <INCHI_KEY>
UEGGEWJANAUGIB-WHLQWQNDSA-N

> <FORMULA>
C24H33ClO10

> <MOLECULAR_WEIGHT>
516.97

> <EXACT_MASS>
516.176225

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
50.769813601156734

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1^{4,7}]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid

> <JCHEM_LOGP>
0.383810161

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.574648144795553

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.2120005872674495

> <JCHEM_PKA_STRONGEST_BASIC>
-3.34668894016807

> <JCHEM_POLAR_SURFACE_AREA>
162.98

> <JCHEM_REFRACTIVITY>
125.7314

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1^{4,7}]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       6.781   7.251   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.280   5.795   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.290   4.633   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.789   3.177   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.800   2.015   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.312   2.309   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.299   0.559   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.188  -0.725   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       7.275  -1.994   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.805  -1.487   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.800   0.091   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.620   1.143   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.072   1.445   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.808   2.962   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.694   0.625   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.253  -0.067   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.380  -1.640   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.908  -1.896   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.668  -0.578   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.203  -0.456   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.436  -3.273   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.011  -3.802   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.412  -4.513   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.336  -5.616   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.673  -5.455   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.035  -6.170   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.550  -5.993   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.342  -4.621   0.000  0.00  0.00           C+0
HETATM   29 Cl   UNK     0       5.132  -3.668   0.000  0.00  0.00          Cl+0
HETATM   30  C   UNK     0       7.475  -3.545   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.926  -4.061   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.768   5.501   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.757   6.663   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.246   6.369   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.258   8.119   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   30                                                  
CONECT   10    9   11                                                       
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19                                                            
CONECT   21   17   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28    9   31                                                  
CONECT   31   30                                                            
CONECT   32    2   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-Chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1,]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoate	Generator

Chemical Formula

C₂₄H₃₃ClO₁₀

Average Mass

516.9700 Da

Monoisotopic Mass

516.17622 Da

IUPAC Name

(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1^{4,7}]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid

Traditional Name

(3R,4E,6R)-6-[(1S,4R,5R,7R,8R,9R,10Z,12Z,14S,15R,17S)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1^{4,7}]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CC(O)=O)\C=C\[C@@H](O)[C@@H]1O[C@@H]2C[C@@H]1OC(=O)[C@@H]1O[C@H](C[C@H]1C)[C@H](O)[C@H](O)\C=C/C=C(Cl)/[C@H]2O

InChI Identifier

InChI=1S/C24H33ClO10/c1-11(8-19(28)29)6-7-15(27)23-18-10-17(34-23)20(30)13(25)4-3-5-14(26)21(31)16-9-12(2)22(33-16)24(32)35-18/h3-7,11-12,14-18,20-23,26-27,30-31H,8-10H2,1-2H3,(H,28,29)/b5-3-,7-6+,13-4-/t11-,12+,14+,15+,16+,17+,18-,20+,21+,22+,23-/m0/s1

InChI Key

UEGGEWJANAUGIB-WHLQWQNDSA-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
Leucetta chagosensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Medium-chain hydroxy acid
Medium-chain fatty acid
Branched fatty acid
Halogenated fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Unsaturated fatty acid
Oxolane
Chlorohydrin
Halohydrin
Secondary alcohol
Lactone
Carboxylic acid ester
Chloroalkene
Vinyl halide
Carboxylic acid derivative
Haloalkene
Polyol
Oxacycle
Carboxylic acid
Organoheterocyclic compound
Vinyl chloride
Ether
Dialkyl ether
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organohalogen compound
Organochloride
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	0.38	ChemAxon
pKa (Strongest Acidic)	4.21	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.98 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	125.73 m³·mol⁻¹	ChemAxon
Polarizability	50.77 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

9389558

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11214496

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid (NP0181879)

MOL for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

3D MOL for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

3D SDF for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

3D-SDF for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

PDB for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

3D PDB for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

SMILES for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

INCHI for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

Structure for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)

3D Structure for NP0181879 ((3r,4e,6r)-6-[(1s,4r,5r,7r,8r,9r,10z,12z,14s,15r,17s)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid)