NP-MRD: Showing NP-Card for (1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol (NP0271029)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 17:10:52 UTC

Updated at

2022-09-08 17:10:52 UTC

NP-MRD ID

NP0271029

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol

Description

Koninginin A belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. (1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol is found in Trichoderma koningii. (1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol was first documented in 2005 (PMID: 15806554). Based on a literature review a small amount of articles have been published on Koninginin A (PMID: 28535995) (PMID: 24273867) (PMID: 24891425).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          2D

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.9643    6.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    5.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    4.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    3.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5054    2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7187   -2.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0890   -1.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161    0.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125    0.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7729    1.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073    2.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790    7.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680    4.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    7.1369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8533    3.9038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8459    6.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7311    5.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    2.9001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    1.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164    4.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    3.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091    0.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3944   -0.1110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907   -1.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -2.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -3.4771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -3.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -1.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4519   -3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380   -0.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3204   -0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6485    1.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4305    3.3184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7450    1.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206    4.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6384    3.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    3.6972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461    3.3807    0.0000 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
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 11  7  1  0
 14  9  1  0
 19  9  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  6
 11 35  1  1
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  1
 15 41  1  1
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  1
 20 48  1  0
M  END


  Mrv1652309082219102D          

 20 22  0  0  1  0            999 V2000
   -4.8313    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169    1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6879    1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    1.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445    1.6253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2497    1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8774    1.9105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2470    2.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546    2.4839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1569    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    2.7312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0497    2.8308    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3684    3.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    1.2778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1535    0.5026    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
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  1  1  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0271029

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC[C@@H]1O[C@@]23O[C@H]1CC[C@@H]2[C@H](O)CC[C@@H]3O

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-9-7-11-12(17)8-10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3/t11-,12-,13+,14+,15+,16-/m1/s1

> <INCHI_KEY>
GBDGOAVPCDIMFE-VTMBPIDISA-N

> <FORMULA>
C16H28O4

> <MOLECULAR_WEIGHT>
284.396

> <EXACT_MASS>
284.198759382

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
0.0

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,5R,6R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.0^{1,6}]dodecane-2,5-diol

> <JCHEM_LOGP>
3.0039915273333326

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.796893770394242

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.219863295791917

> <JCHEM_PKA_STRONGEST_BASIC>
-2.89865353106632

> <JCHEM_POLAR_SURFACE_AREA>
58.92

> <JCHEM_REFRACTIVITY>
75.35959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5R,6R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.0^{1,6}]dodecane-2,5-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.018   3.034   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.685   2.264   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.351   3.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.017   2.264   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.684   3.034   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.350   2.264   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.016   3.034   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.466   2.373   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.638   3.566   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.461   4.193   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.849   4.637   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.293   6.152   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.291   6.420   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.265   5.098   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.826   5.284   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.421   6.705   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.777   4.057   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.205   2.615   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.680   2.385   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.153   0.938   0.000  0.00  0.00           O+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   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14   19                                             
CONECT   10    9   11                                                       
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    9   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₈O₄

Average Mass

284.3960 Da

Monoisotopic Mass

284.19876 Da

IUPAC Name

(1R,2S,5R,6R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.0^{1,6}]dodecane-2,5-diol

Traditional Name

(1R,2S,5R,6R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.0^{1,6}]dodecane-2,5-diol

CAS Registry Number

Not Available

SMILES

CCCCCC[C@@H]1O[C@@]23O[C@H]1CC[C@@H]2[C@H](O)CC[C@@H]3O

InChI Identifier

InChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-9-7-11-12(17)8-10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3/t11-,12-,13+,14+,15+,16-/m1/s1

InChI Key

GBDGOAVPCDIMFE-VTMBPIDISA-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
Trichoderma koningii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxepanes

Sub Class

Not Available

Direct Parent

Oxepanes

Alternative Parents

Substituents

Ketal
Oxepane
Oxane
Cyclic alcohol
Meta-dioxolane
Secondary alcohol
Oxacycle
Acetal
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	3	ChemAxon
pKa (Strongest Acidic)	13.22	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.92 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	75.36 m³·mol⁻¹	ChemAxon
Polarizability	0 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

C00023951

Chemspider ID

71044095

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

98051255

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Rand TG, Chang CT, McMullin DR, Miller JD: Inflammation-associated gene expression in RAW 264.7 macrophages induced by toxins from fungi common on damp building materials. Toxicol In Vitro. 2017 Sep;43:16-20. doi: 10.1016/j.tiv.2017.05.015. Epub 2017 May 20. [PubMed:28535995 ]
Tarawneh AH, Leon F, Radwan MM, Rosa LH, Cutler SJ: Secondary metabolites from the fungus Emericella nidulans. Nat Prod Commun. 2013 Sep;8(9):1285-8. [PubMed:24273867 ]
McMullin DR, Nsiama TK, Miller JD: Secondary metabolites from Penicillium corylophilum isolated from damp buildings. Mycologia. 2014 Jul-Aug;106(4):621-8. doi: 10.3852/13-265. Epub 2014 Jun 2. [PubMed:24891425 ]
Mori K: Synthetic examination of incorrectly proposed structures of biomolecules. Chem Rec. 2005;5(1):1-16. doi: 10.1002/tcr.20030. [PubMed:15806554 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol (NP0271029)

MOL for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

3D MOL for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

3D SDF for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

3D-SDF for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

PDB for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

3D PDB for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

SMILES for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

INCHI for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

Structure for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)

3D Structure for NP0271029 ((1r,2s,5r,6r,9s,10s)-10-hexyl-11,12-dioxatricyclo[7.2.1.0¹,⁶]dodecane-2,5-diol)