NP-MRD: Showing NP-Card for Desmondiin J (NP0333445)

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Record Information

Version

2.0

Created at

2024-06-20 17:46:17 UTC

Updated at

2025-12-20 13:41:06 UTC

NP-MRD ID

NP0333445

Natural Product DOI

https://doi.org/10.57994/2887

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Desmondiin J

Description

Desmondiin J belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Based on a literature review very few articles have been published on Desmondiin J.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03042320212D          

 35 38  0  0  1  0            999 V2000
   -7.3495    0.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5426    1.0839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9905    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9286    1.4269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3766    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4807    2.0400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2257    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4187    2.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1638    3.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8667    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0597    2.5546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6472    3.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403    3.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540    2.2771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3251    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3894    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    3.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447    3.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    1.9415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8946    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8246    0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0327    2.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2876    1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4872    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0629    2.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 16 24  1  1  0  0  0
 12 25  1  6  0  0  0
 26 12  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 11 29  2  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
  7 32  1  1  0  0  0
  7 33  1  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END


  Mrv2104 03042320212D          

 35 38  0  0  1  0            999 V2000
   -7.3495    0.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5426    1.0839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9905    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1836    0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9286    1.4269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3766    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4807    2.0400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2257    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4187    2.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1638    3.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8667    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0597    2.5546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6472    3.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403    3.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540    2.2771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0396    1.8646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3251    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3894    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    3.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447    3.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    1.9415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8946    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8246    0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0327    2.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2876    1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4872    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0629    2.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 16 24  1  1  0  0  0
 12 25  1  6  0  0  0
 26 12  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 11 29  2  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
  7 32  1  1  0  0  0
  7 33  1  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333445

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@@H](O)C3=C(C(=O)C[C@@]4(C)[C@@H](CC[C@]34C)[C@H](C)CCC(O)C(C)=C)[C@@]1(C)CC[C@H](O)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O4/c1-17(2)20(31)10-9-18(3)19-11-14-29(7)26-21(32)15-23-27(4,5)24(34)12-13-28(23,6)25(26)22(33)16-30(19,29)8/h18-21,23-24,31-32,34H,1,9-16H2,2-8H3/t18-,19+,20?,21-,23+,24+,28+,29-,30+/m1/s1

> <INCHI_KEY>
YXLWXWZVFCOKHG-JVMPJFQBSA-N

> <FORMULA>
C30H48O4

> <MOLECULAR_WEIGHT>
472.71

> <EXACT_MASS>
472.355260026

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
55.93197001445128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

> <JCHEM_LOGP>
4.635700696000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.99620697620144

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.528716597405124

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7248191768758658

> <JCHEM_POLAR_SURFACE_AREA>
77.75999999999999

> <JCHEM_REFRACTIVITY>
137.1964

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAR-23         0                                  
HETATM    1  O   UNK     0     -13.719   1.703   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.213   2.023   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.182   0.879   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.676   1.199   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.200   2.664   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.170   1.519   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.231   3.808   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.755   5.273   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.248   5.593   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -7.772   7.057   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.218   4.448   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.712   4.769   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.942   6.102   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.435   5.782   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.274   4.251   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.941   3.481   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.607   4.251   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.727   3.481   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.061   4.251   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.061   5.791   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.394   3.481   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.728   4.251   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.394   1.941   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.941   1.941   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.617   6.014   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.681   3.624   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.537   2.594   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.157   2.160   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.694   2.984   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.663   1.839   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -7.139   0.375   0.000  0.00  0.00           O+0
HETATM   32  H   UNK     0     -11.261   4.952   0.000  0.00  0.00           H+0
HETATM   33  C   UNK     0     -11.737   3.488   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -12.109   4.982   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -13.184   4.015   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   33                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   29                                             
CONECT    6    5                                                            
CONECT    7    5    8   32   33                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   29                                                  
CONECT   12   11   13   25   26                                             
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   26                                                  
CONECT   16   15   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   16                                                            
CONECT   25   12                                                            
CONECT   26   12   15   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   30                                                       
CONECT   29   11    5   30                                                  
CONECT   30   29   28   31                                                  
CONECT   31   30                                                            
CONECT   32    7                                                            
CONECT   33    7    2   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₈O₄

Average Mass

472.7100 Da

Monoisotopic Mass

472.35526 Da

IUPAC Name

(1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

Traditional Name

(1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-10-one

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@@H](O)C3=C(C(=O)C[C@@]4(C)[C@@H](CC[C@]34C)[C@H](C)CCC(O)C(C)=C)[C@@]1(C)CC[C@H](O)C2(C)C

InChI Identifier

InChI=1S/C30H48O4/c1-17(2)20(31)10-9-18(3)19-11-14-29(7)26-21(32)15-23-27(4,5)24(34)12-13-28(23,6)25(26)22(33)16-30(19,29)8/h18-21,23-24,31-32,34H,1,9-16H2,2-8H3/t18-,19+,20?,21-,23+,24+,28+,29-,30+/m1/s1

InChI Key

YXLWXWZVFCOKHG-JVMPJFQBSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	hohmann.judit@szte.hu	University of Szeged	Judit Hohmann	2024-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Centrapalus pauciflorus		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Trihydroxy bile acids, alcohols and derivatives

Alternative Parents

Substituents

Triterpenoid
Trihydroxy bile acid, alcohol, or derivatives
24-hydroxysteroid
7-hydroxysteroid
7-alpha-hydroxysteroid
3-beta-hydroxysteroid
Oxosteroid
11-oxosteroid
Hydroxysteroid
3-hydroxysteroid
Cyclohexenone
Alpha-branched alpha,beta-unsaturated-ketone
Alpha,beta-unsaturated ketone
Enone
Cyclic alcohol
Acryloyl-group
Secondary alcohol
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	4.64	ChemAxon
pKa (Strongest Acidic)	14.53	ChemAxon
pKa (Strongest Basic)	-0.72	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	137.2 m³·mol⁻¹	ChemAxon
Polarizability	55.93 Å³	ChemAxon
Number of Rings	4	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Desmondiin J (NP0333445)

MOL for NP0333445 (Desmondiin J)

3D MOL for NP0333445 (Desmondiin J)

3D SDF for NP0333445 (Desmondiin J)

3D-SDF for NP0333445 (Desmondiin J)

PDB for NP0333445 (Desmondiin J)

3D PDB for NP0333445 (Desmondiin J)

SMILES for NP0333445 (Desmondiin J)

INCHI for NP0333445 (Desmondiin J)

Structure for NP0333445 (Desmondiin J)

3D Structure for NP0333445 (Desmondiin J)