NP-MRD: Showing NP-Card for 6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid (NP0268059)

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Record Information

Version

2.0

Created at

2022-09-08 13:03:23 UTC

Updated at

2022-09-08 13:03:23 UTC

NP-MRD ID

NP0268059

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid

Description

6,7,13,14-Tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]Tetradecane-5-carboxylic acid belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid is found in Althaea officinalis. 6,7,13,14-Tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]Tetradecane-5-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -3.7591    0.5107   -1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247   -0.5409   -0.3983 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4434   -1.3438   -0.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -0.6096   -0.5122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1478   -1.3467   -0.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053   -0.4960   -0.6988 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1961   -0.4295    0.7717 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0261    0.6755    0.9802 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377    0.3940    0.3785 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3255    1.2754    0.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    1.1128    0.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1247    2.2800    1.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    0.3423   -1.1462 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3158    0.1965   -1.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579   -0.8415   -1.4243 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8030   -1.9561   -0.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429   -0.4066    1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810   -0.0055    0.8325 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2838   -0.4130    1.6971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3126   -1.8132    1.6561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5068    0.1351    0.9508 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2298    1.5083    0.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384    1.3618   -1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8061    0.1205   -2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7591    0.9758   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4446   -1.1935   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    0.2238   -1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153    0.5475   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -1.3192    1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -0.6530    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855    2.1733    2.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    1.2442   -1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4645    1.0099   -2.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963   -0.9785   -2.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.6367   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0948    1.1142    0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092   -0.0159    2.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016   -2.1645    1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4345   -0.0188    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5406    1.9813    1.5598 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 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  1  0
 13  9  1  0
  9  8  1  0
  8  7  1  0
  7 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 10  1  0
 10 12  1  0
 10 11  2  0
 21  2  1  0
 18  4  1  0
  7  6  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  1
  4 27  1  6
  6 28  1  6
 15 34  1  6
 16 35  1  0
 13 32  1  6
 14 33  1  0
  9 30  1  1
  7 29  1  1
 18 36  1  6
 19 37  1  1
 20 38  1  0
 21 39  1  1
 22 40  1  0
 12 31  1  0
M  END


  Mrv1533004191518312D          

 22 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0268059

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC2OC3C(O)C(O)C(OC3OC2C(O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O10/c1-2-3(13)4(14)8-11(19-2)21-9-6(16)5(15)7(10(17)18)20-12(9)22-8/h2-9,11-16H,1H3,(H,17,18)

> <INCHI_KEY>
GPNBVTXKEGZPLX-UHFFFAOYSA-N

> <FORMULA>
C12H18O10

> <MOLECULAR_WEIGHT>
322.266

> <EXACT_MASS>
322.08999678

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.203628584864553

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid

> <ALOGPS_LOGP>
-1.93

> <JCHEM_LOGP>
-2.1744867866666664

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.452837687275778

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.143850952469856

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612479468765339

> <JCHEM_POLAR_SURFACE_AREA>
155.14000000000001

> <JCHEM_REFRACTIVITY>
63.15030000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.42e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12    6   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14    4   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    2   19                                                  
CONECT   19   18                                                            
CONECT   20   11   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
6,7,13,14-Tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0,]tetradecane-5-carboxylate	Generator
6,7,13,14-Tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylate	Generator

Chemical Formula

C₁₂H₁₈O₁₀

Average Mass

322.2660 Da

Monoisotopic Mass

322.09000 Da

IUPAC Name

6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid

Traditional Name

6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1OC2OC3C(O)C(O)C(OC3OC2C(O)C1O)C(O)=O

InChI Identifier

InChI=1S/C12H18O10/c1-2-3(13)4(14)8-11(19-2)21-9-6(16)5(15)7(10(17)18)20-12(9)22-8/h2-9,11-16H,1H3,(H,17,18)

InChI Key

GPNBVTXKEGZPLX-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

Species Name	Source	Reference
Althaea officinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Substituents

Glucuronic acid or derivatives
Disaccharide
Beta-hydroxy acid
Para-dioxane
Hydroxy acid
Pyran
Oxane
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Acetal
Polyol
Organic oxide
Carbonyl group
Hydrocarbon derivative
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	-1.9	ALOGPS
logP	-2.2	ChemAxon
logS	0.03	ALOGPS
pKa (Strongest Acidic)	3.14	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.14 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	63.15 m³·mol⁻¹	ChemAxon
Polarizability	29.2 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BiGG ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid (NP0268059)

MOL for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

3D MOL for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

3D SDF for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

3D-SDF for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

PDB for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

3D PDB for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

SMILES for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

INCHI for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

Structure for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)

3D Structure for NP0268059 (6,7,13,14-tetrahydroxy-12-methyl-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁸]tetradecane-5-carboxylic acid)