NP-MRD: Showing NP-Card for 1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate (NP0330469)

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Record Information

Version

2.0

Created at

2022-09-12 15:51:28 UTC

Updated at

2022-09-12 15:51:29 UTC

NP-MRD ID

NP0330469

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate

Description

1,3,4-Trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. 1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate is found in Lauriomyces bellulus. Based on a literature review very few articles have been published on 1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122217512D          

 43 42  0  0  0  0            999 V2000
    8.4711    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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 23 87  1  0
 25 88  1  0
 25 89  1  0
 25 90  1  0
 28 91  1  1
 29 92  1  0
 29 93  1  0
 29 94  1  0
 33 95  1  1
 34 96  1  0
 34 97  1  0
 35 98  1  0
 36 99  1  6
 37100  1  0
 38101  1  6
 39102  1  0
 43103  1  0
 43104  1  0
 43105  1  0
M  END


  Mrv1652309122217512D          

 43 42  0  0  0  0            999 V2000
    8.4711    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0460    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7605    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7605    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4749    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1894    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4749    6.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7605    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1894    7.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9039    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1894    8.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9039    8.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6184    8.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328    8.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9039    9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1894    9.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6184    9.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328    9.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6184   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9039   11.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328   11.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328   11.9033    0.0000 C   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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 21  1  4  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0330469

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC(O)CCCCC(C)CC(C)C=C(C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3

> <INCHI_KEY>
ZWXNTVDOCZMZEJ-UHFFFAOYSA-N

> <FORMULA>
C34H62O9

> <MOLECULAR_WEIGHT>
614.861

> <EXACT_MASS>
614.439383576

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
72.52350421762416

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate

> <JCHEM_LOGP>
7.300484471333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.173756513778715

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.492226768498869

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2747361180051886

> <JCHEM_POLAR_SURFACE_AREA>
150.59

> <JCHEM_REFRACTIVITY>
168.96180000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate

> <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      15.813  10.669   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.146  11.439   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.480  10.669   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.814  11.439   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.147  10.669   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.481  11.439   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      23.815  10.669   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.148  11.439   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.482  10.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.816  11.439   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      29.149  10.669   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      30.483  11.439   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      30.483  12.979   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      31.817  10.669   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      33.150  11.439   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      34.484  10.669   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      35.818  11.439   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      37.152  10.669   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.152   9.129   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      38.485  11.439   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      39.819  10.669   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      39.819   9.129   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      41.153  11.439   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      42.486  10.669   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      42.486   9.129   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      43.820  11.439   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      45.154  10.669   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      43.820  12.979   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      42.486  13.749   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      45.154  13.749   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      46.487  12.979   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      45.154  15.289   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      46.487  16.059   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      47.821  15.289   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      49.155  16.059   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      46.487  17.599   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      45.154  18.369   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      47.821  18.369   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      49.155  17.599   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      47.821  19.909   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      46.487  20.679   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      49.155  20.679   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      49.155  22.219   0.000  0.00  0.00           C+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                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   84    0
END

View in JSmol

Synonyms

Value	Source
1,3,4-Trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoic acid	Generator

Chemical Formula

C₃₄H₆₂O₉

Average Mass

614.8610 Da

Monoisotopic Mass

614.43938 Da

IUPAC Name

1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate

Traditional Name

1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC(O)CCCCC(C)CC(C)C=C(C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)OC

InChI Identifier

InChI=1S/C34H62O9/c1-7-8-9-10-11-12-13-14-15-19-28(36)20-17-16-18-24(2)21-25(3)22-26(4)30(37)27(5)33(40)43-29(23-35)31(38)32(39)34(41)42-6/h22,24-25,27-29,31-32,35-36,38-39H,7-21,23H2,1-6H3

InChI Key

ZWXNTVDOCZMZEJ-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
Lauriomyces bellulus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
Acyclic monoterpenoid
Monoterpenoid
Beta-hydroxy acid
Beta-keto acid
Fatty acid ester
Alpha-branched alpha,beta-unsaturated-ketone
1,3-dicarbonyl compound
Dicarboxylic acid or derivatives
Monosaccharide
Hydroxy acid
Keto acid
Acryloyl-group
Alpha,beta-unsaturated ketone
Methyl ester
Enone
Secondary alcohol
Carboxylic acid ester
Ketone
Carboxylic acid derivative
Polyol
Primary alcohol
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	7.3	ChemAxon
pKa (Strongest Acidic)	11.49	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	150.59 Å²	ChemAxon
Rotatable Bond Count	28	ChemAxon
Refractivity	168.96 m³·mol⁻¹	ChemAxon
Polarizability	72.52 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

75046221

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate (NP0330469)

MOL for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

3D MOL for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

3D SDF for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

3D-SDF for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

PDB for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

3D PDB for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

SMILES for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

INCHI for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

Structure for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)

3D Structure for NP0330469 (1,3,4-trihydroxy-5-methoxy-5-oxopentan-2-yl 13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoate)