NP-MRD: Showing NP-Card for (1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol (NP0321828)

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Record Information

Version

2.0

Created at

2022-09-12 00:14:49 UTC

Updated at

2022-09-12 00:14:49 UTC

NP-MRD ID

NP0321828

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol

Description

Lactapiperanol C belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol is found in Lactarius piperatus. It was first documented in 2022 (PMID: 36127132). Based on a literature review a significant number of articles have been published on Lactapiperanol C (PMID: 36127124) (PMID: 36127075) (PMID: 36127125) (PMID: 36127064).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 49  0  0  0  0  0  0  0  0999 V2000
    4.7606    1.0794   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562    0.7553   -1.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9153   -0.2735   -0.5132 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6595   -1.4200   -1.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395   -2.2754   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268   -1.4296    0.5801 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3150   -1.7302    1.9156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225   -1.7989   -0.0256 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4043   -3.1122    0.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013   -0.8766    0.4788 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4434   -0.9425   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0801    0.4116   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    0.4956    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1427    0.7758   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    1.3084   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.5474    0.5182 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5850    0.8427   -0.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5639    1.6657   -1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998    1.1326    1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564   -0.0554    0.2072 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7407    1.3727    0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4436    0.2178   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    1.9763   -1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888   -0.6040    0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -2.5786    0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -3.1459   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9315   -1.0448    2.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575   -1.7137   -1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -3.1416    1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916   -1.2829    1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.9814   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1221   -1.7512   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    1.5708    1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483   -0.0833    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094    0.0976    2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.5374   -2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1087    0.3105   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.8975   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    2.2897    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.4595   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    0.8785    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1162    1.0334   -2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362    1.9871   -1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248    2.6187   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627    1.9680    0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533    1.0116    2.1007 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  1
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 20 19  1  1
 20  3  1  0
 20  6  1  0
 16 10  1  0
 20 17  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  1
  5 25  1  0
  5 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  1
 18 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 19 46  1  0
M  END


  Mrv1652309122202142D          

 20 23  0  0  1  0            999 V2000
    0.0768   -2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8371    0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1369   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1369   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0503   -2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  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  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 15  1  6  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 20 19  1  1  0  0  0
  3 20  1  0  0  0  0
  6 20  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321828

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1OC[C@]2(O)[C@@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]123

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O4/c1-13(2)5-9-10(6-13)14(3)7-15(14)12(19-4)20-8-16(15,18)11(9)17/h9-12,17-18H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,16+/m1/s1

> <INCHI_KEY>
DEBINYRQIQKNDF-YDVAJBCMSA-N

> <FORMULA>
C16H26O4

> <MOLECULAR_WEIGHT>
282.38

> <EXACT_MASS>
282.183109317

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
30.94456965655023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3R,4S,8R,9S,10S,13R)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0^{1,3}.0^{4,8}]tridecane-9,10-diol

> <JCHEM_LOGP>
1.2409377616666661

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.492376117625373

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.519346214129946

> <JCHEM_PKA_STRONGEST_BASIC>
-3.373352378797758

> <JCHEM_POLAR_SURFACE_AREA>
58.92

> <JCHEM_REFRACTIVITY>
73.1975

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4S,8R,9S,10S,13R)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0^{1,3}.0^{4,8}]tridecane-9,10-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       0.143  -4.334   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.650  -4.013   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.220  -1.303   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.429   0.999   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.924   1.777   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.722  -0.057   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.627  -1.303   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.772  -0.272   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.772  -2.333   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.722  -2.549   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.694  -4.177   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590  -3.613   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   20                                             
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   10   17                                                  
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19    3    6   17                                             
MASTER        0    0    0    0    0    0    0    0   20    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₆O₄

Average Mass

282.3800 Da

Monoisotopic Mass

282.18311 Da

IUPAC Name

(1S,3R,4S,8R,9S,10S,13R)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0^{1,3}.0^{4,8}]tridecane-9,10-diol

Traditional Name

(1S,3R,4S,8R,9S,10S,13R)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0^{1,3}.0^{4,8}]tridecane-9,10-diol

CAS Registry Number

Not Available

SMILES

CO[C@@H]1OC[C@]2(O)[C@@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]123

InChI Identifier

InChI=1S/C16H26O4/c1-13(2)5-9-10(6-13)14(3)7-15(14)12(19-4)20-8-16(15,18)11(9)17/h9-12,17-18H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,16+/m1/s1

InChI Key

DEBINYRQIQKNDF-YDVAJBCMSA-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
Lactarius piperatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
1,2-diol
Oxacycle
Organoheterocyclic compound
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	1.24	ChemAxon
pKa (Strongest Acidic)	12.52	ChemAxon
pKa (Strongest Basic)	-3.4	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	1	ChemAxon
Refractivity	73.2 m³·mol⁻¹	ChemAxon
Polarizability	30.94 Å³	ChemAxon
Number of Rings	4	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

Not Available

Chemspider ID

8668577

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10493175

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Thalalla Gamage S, Bortolin-Cavaille ML, Link C, Bryson K, Sas-Chen A, Schwartz S, Cavaille J, Meier JL: Antisense pairing and SNORD13 structure guide RNA cytidine acetylation. RNA. 2022 Sep 20. pii: rna.079254.122. doi: 10.1261/rna.079254.122. [PubMed:36127124 ]
Suthutvoravut U, Anothaisintawee T, Boonmanunt S, Pramyothin S, Chaithanasarn A, Reutrakul S, Thakkinstian A: Efficacy of time-restricted eating and behavioural economic interventions in reducing fasting plasma glucose, HbA1c and cardiometabolic risk factors compared with time-restricted eating alone or usual care in patients with impaired fasting glucose: protocol for an open-label randomised controlled trial. BMJ Open. 2022 Sep 20;12(9):e058954. doi: 10.1136/bmjopen-2021-058954. [PubMed:36127075 ]
Wang J, Yang Z, Ye K: Methylation guide RNAs without box C/D motifs. RNA. 2022 Dec;28(12):1597-1605. doi: 10.1261/rna.079379.122. Epub 2022 Sep 20. [PubMed:36127125 ]
Liang J, Zhang X, Liu TQ, Gao XD, Liang WB, Qi W, Qian LJ, Li Z, Chen XM: Macroscopic Heterostructure Membrane of Graphene Oxide/Porous Graphene/Graphene Oxide for Selective Separation of Deuterium Water from Natural Water. Adv Mater. 2022 Dec;34(49):e2206524. doi: 10.1002/adma.202206524. Epub 2022 Oct 26. [PubMed:36127132 ]
Gao X, Peng Q, Yuan K, Li Y, Shi M, Miao J, Liu X: Monitoring and characterization of prochloraz resistance in Fusarium fujikuroi in China. Pestic Biochem Physiol. 2022 Oct;187:105189. doi: 10.1016/j.pestbp.2022.105189. Epub 2022 Aug 1. [PubMed:36127064 ]
LOTUS database [Link]

Showing NP-Card for (1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol (NP0321828)

MOL for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

3D MOL for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

3D SDF for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

3D-SDF for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

PDB for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

3D PDB for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

SMILES for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

INCHI for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

Structure for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)

3D Structure for NP0321828 ((1s,3r,4s,8r,9s,10s,13r)-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecane-9,10-diol)