NP-MRD: Showing NP-Card for 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one (NP0182635)

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Record Information

Version

2.0

Created at

2022-09-03 21:22:40 UTC

Updated at

2022-09-03 21:22:40 UTC

NP-MRD ID

NP0182635

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one

Description

Asteltoxin belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one is found in Aspergillus insulicola and Aspergillus stellatus. 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one was first documented in 2018 (PMID: 29130337). Based on a literature review a small amount of articles have been published on Asteltoxin (PMID: 29860591) (PMID: 35461323) (PMID: 32508514) (PMID: 31678008).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032223222D          

 30 32  0  0  1  0            999 V2000
   -0.4529   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1487   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987   -1.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237   -1.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362   -2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8612   -2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737   -1.6839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987   -1.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5112   -0.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5112   -2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987   -3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5112   -3.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3362   -3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737   -3.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8612   -3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6623   -1.4808    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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   -3.2618    1.2883   -0.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28  3  1  0
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 29 58  1  0
 29 59  1  0
 30 60  1  0
M  END


  Mrv1652309032223222D          

 30 32  0  0  1  0            999 V2000
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    0.7846   -0.2549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1487   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612   -0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0182635

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1O[C@@H]2O[C@H](\C=C\C=C\C=C\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+/t16-,18-,20+,21+,22+,23+/m1/s1

> <INCHI_KEY>
GPXPJKFETRLRAS-AHUKKWBBSA-N

> <FORMULA>
C23H30O7

> <MOLECULAR_WEIGHT>
418.486

> <EXACT_MASS>
418.199153306

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.72304701955603

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one

> <JCHEM_LOGP>
2.4787235536666654

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.826561112722434

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.128864039700943

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4783775545859985

> <JCHEM_POLAR_SURFACE_AREA>
94.45000000000002

> <JCHEM_REFRACTIVITY>
116.2172

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one

> <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      -0.845  -1.810   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.075  -0.476   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.370   0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.299   0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.204  -0.476   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.744  -0.476   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.514  -1.810   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.054  -1.810   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.824  -3.143   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.364  -3.143   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.134  -4.477   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.674  -4.477   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      15.444  -3.143   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      16.984  -3.143   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      17.754  -1.810   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      17.754  -4.477   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.984  -5.811   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      17.754  -7.144   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      19.294  -7.144   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.444  -5.811   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.674  -7.144   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.775  -3.186   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.834  -2.786   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.674  -3.231   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.236  -2.764   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   28                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   26                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   24                                                  
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   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   14   23                                                  
CONECT   23   22                                                            
CONECT   24    7   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    5   27   28                                             
CONECT   27   26                                                            
CONECT   28   26    3   29   30                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₃₀O₇

Average Mass

418.4860 Da

Monoisotopic Mass

418.19915 Da

IUPAC Name

6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one

Traditional Name

6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one

CAS Registry Number

Not Available

SMILES

CC[C@H]1O[C@@H]2O[C@H](\C=C\C=C\C=C\C3=C(C)C(OC)=CC(=O)O3)[C@H](O)[C@]2(C)[C@@]1(C)O

InChI Identifier

InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+/t16-,18-,20+,21+,22+,23+/m1/s1

InChI Key

GPXPJKFETRLRAS-AHUKKWBBSA-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
Aspergillus insulicola	LOTUS Database	35616633
Aspergillus stellatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furofurans

Sub Class

Not Available

Direct Parent

Furofurans

Alternative Parents

Substituents

Furofuran
Alkyl aryl ether
Pyranone
Monosaccharide
Pyran
Vinylogous ester
Tetrahydrofuran
Tertiary alcohol
Heteroaromatic compound
Secondary alcohol
Lactone
Acetal
Ether
Oxacycle
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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	2.48	ChemAxon
pKa (Strongest Acidic)	13.13	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	94.45 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	116.22 m³·mol⁻¹	ChemAxon
Polarizability	45.72 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	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00054807

Chemspider ID

4942641

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6438150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu JT, Wu W, Cao MJ, Yang F, Lin HW: Trienic alpha-pyrone and ochratoxin derivatives from a sponge-derived fungus Aspergillus ochraceopetaliformis. Nat Prod Res. 2018 Aug;32(15):1791-1797. doi: 10.1080/14786419.2017.1402325. Epub 2017 Nov 13. [PubMed:29130337 ]
Li W, Ma Z, Chen L, Yin WB: Synthesis and production of the antitumor polyketide aurovertins and structurally related compounds. Appl Microbiol Biotechnol. 2018 Aug;102(15):6373-6381. doi: 10.1007/s00253-018-9123-1. Epub 2018 Jun 2. [PubMed:29860591 ]
Mitani F, Lin J, Sakamoto T, Uehara R, Hikita T, Yoshida T, Setiawan A, Arai M, Oneyama C: Asteltoxin inhibits extracellular vesicle production through AMPK/mTOR-mediated activation of lysosome function. Sci Rep. 2022 Apr 23;12(1):6674. doi: 10.1038/s41598-022-10692-0. [PubMed:35461323 ]
Suminto S, Takatsuji E, Iguchi A, Kanzaki H, Okuda T, Nitoda T: A new asteltoxin analog with insecticidal activity from Pochonia suchlasporia TAMA 87. J Pestic Sci. 2020 May 20;45(2):81-85. doi: 10.1584/jpestics.D19-081. [PubMed:32508514 ]
Hashimoto M, Ichijo H, Fujiwara K, Sugasawa H, Abo S, Matsudo K, Uchiyama N, Goda Y, Fujii I: Functional expression of a highly-reducing polyketide synthase of Emericella variecolor IFM42010, an asteltoxin-producing strain, resulted in production of two polyenoic beta-ketolactones with opposite stereochemistry. Bioorg Med Chem Lett. 2019 Dec 15;29(24):126686. doi: 10.1016/j.bmcl.2019.126686. Epub 2019 Oct 14. [PubMed:31678008 ]
LOTUS database [Link]

Showing NP-Card for 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one (NP0182635)

MOL for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

3D MOL for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

3D SDF for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

3D-SDF for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

PDB for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

3D PDB for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

SMILES for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

INCHI for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

Structure for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)

3D Structure for NP0182635 (6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methylpyran-2-one)