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Showing NP-Card for 22-Deoxoisocucurbitacin D (NP0335345)

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Record Information
Version2.0
Created at2024-09-11 01:10:34 UTC
Updated at2024-09-11 01:10:35 UTC
NP-MRD IDNP0335345
Secondary Accession NumbersNone
Natural Product Identification
Common Name22-Deoxoisocucurbitacin D
Description22-Deoxoisocucurbitacin D belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Based on a literature review very few articles have been published on 22-Deoxoisocucurbitacin D.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0335345 (22-Deoxoisocucurbitacin D)


  Mrv2104 05262303422D          

 36 39  0  0  0  0            999 V2000
   -3.7352   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229   -0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4313   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4504   -1.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4504   -0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035    1.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7365    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7365    0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    1.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    2.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
Download

3D MOL for NP0335345 (22-Deoxoisocucurbitacin D)

Download
3D SDF for NP0335345 (22-Deoxoisocucurbitacin D)

  Mrv2104 05262303422D          

 36 39  0  0  0  0            999 V2000
   -3.7352   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229   -0.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4313   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4504   -1.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4504   -0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035    1.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    0.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7365    1.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7365    0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504    1.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    2.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335345

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C

> <INCHI_IDENTIFIER>
InChI=1/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18,20-21,23-24,32,34-36H,11,13-16H2,1-8H3/b12-9+

> <INCHI_KEY>
LTAMPOZNZZLEID-FMIVXFBMNA-N

> <FORMULA>
C30H46O6

> <MOLECULAR_WEIGHT>
502.692

> <EXACT_MASS>
502.329439201

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
58.127789445323856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dione

> <JCHEM_LOGP>
2.4875634399999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.422556723832761

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.905689357572653

> <JCHEM_PKA_STRONGEST_BASIC>
-1.582275804720204

> <JCHEM_POLAR_SURFACE_AREA>
115.06

> <JCHEM_REFRACTIVITY>
141.17010000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,9H,9aH,11H-cyclopenta[a]phenanthrene-8,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0335345 (22-Deoxoisocucurbitacin D)
Download
PDB for NP0335345 (22-Deoxoisocucurbitacin D)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -6.972  -1.059   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.972  -2.607   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.635  -3.380   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.300  -2.607   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.300  -1.059   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.635  -0.291   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.965  -3.380   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.628  -2.607   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.628  -1.059   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.965  -0.291   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.298  -0.291   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.298   1.249   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.628   2.009   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.965   1.249   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.163  -0.761   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.054   0.481   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.163   1.711   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.405  -4.715   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.865  -4.715   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -8.307  -3.380   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -8.307  -0.291   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.300   2.024   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.298   2.789   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.965  -1.832   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.298  -1.832   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.594   0.481   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.645   3.174   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.978   3.942   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.310   3.174   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.643   3.942   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.975   3.174   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.307   3.942   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.975   1.634   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.307   2.404   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.311   3.942   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.645   4.715   0.000  0.00  0.00           O+0
CONECT    1    2    6   21                                                  
CONECT    2    1    3   20                                                  
CONECT    3    2    4   18   19                                             
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10                                                  
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    5    9   14   24                                             
CONECT   11    9   12   15   25                                             
CONECT   12   11   13   17   23                                             
CONECT   13   12   14                                                       
CONECT   14   10   13   22                                                  
CONECT   15   11   16                                                       
CONECT   16   15   17   26                                                  
CONECT   17   12   16   27                                                  
CONECT   18    3                                                            
CONECT   19    3                                                            
CONECT   20    2                                                            
CONECT   21    1                                                            
CONECT   22   14                                                            
CONECT   23   12                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   16                                                            
CONECT   27   17   28   35   36                                             
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31                                                            
CONECT   35   27                                                            
CONECT   36   27                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

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3D PDB for NP0335345 (22-Deoxoisocucurbitacin D)
Download
SMILES for NP0335345 (22-Deoxoisocucurbitacin D)
CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C
Download
INCHI for NP0335345 (22-Deoxoisocucurbitacin D)
InChI=1/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18,20-21,23-24,32,34-36H,11,13-16H2,1-8H3/b12-9+
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View in JSmol
SynonymsNot Available
Chemical FormulaC30H46O6
Average Mass502.6920 Da
Monoisotopic Mass502.32944 Da
IUPAC Name1-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dione
Traditional Name1-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,9H,9aH,11H-cyclopenta[a]phenanthrene-8,10-dione
CAS Registry NumberNot Available
SMILES
CC(C)(O)\C=C\CC(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C
InChI Identifier
InChI=1/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18,20-21,23-24,32,34-36H,11,13-16H2,1-8H3/b12-9+
InChI KeyLTAMPOZNZZLEID-FMIVXFBMNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassSteroids and steroid derivatives  
Sub ClassCucurbitacins  
Direct ParentCucurbitacins  
Alternative Parents
Substituents
  • Cucurbitacin skeleton
    • 

  • Triterpenoid
    • 

  • 25-hydroxysteroid
    • 

  • 20-hydroxysteroid
    • 

  • 3-hydroxy-delta-5-steroid
    • 

  • 3-hydroxysteroid
    • 

  • 16-hydroxysteroid
    • 

  • 2-oxosteroid
    • 

  • Oxosteroid
    • 

  • 11-oxosteroid
    • 

  • Hydroxysteroid
    • 

  • Delta-5-steroid
    • 

  • Cyclic alcohol
    • 

  • Tertiary alcohol
    • 

  • Secondary alcohol
    • 

  • Cyclic ketone
    • 

  • Ketone
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Carbonyl group
    • 

  • Alcohol
    • 

  • Organooxygen compound
    • 

  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.49ChemAxon
pKa (Strongest Acidic)12.91ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity141.17 m³·mol⁻¹ChemAxon
Polarizability58.13 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References