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Showing NP-Card for 8-Pentanoylneosolaniol (NP0337568)

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Record Information
Version2.0
Created at2024-09-11 11:25:10 UTC
Updated at2024-09-11 11:25:10 UTC
NP-MRD IDNP0337568
Secondary Accession NumbersNone
Natural Product Identification
Common Name8-Pentanoylneosolaniol
Description8-Pentanoylneosolaniol belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Based on a literature review very few articles have been published on 8-Pentanoylneosolaniol.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337568 (8-Pentanoylneosolaniol)


  Mrv2104 05262313572D          

 35 38  0  0  0  0            999 V2000
   -5.7750   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -9.2518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7750   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605   -9.2518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0605   -8.4268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3461   -8.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3461   -9.6643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6316   -9.2518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6316   -8.4268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2039   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2039   -9.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605  -10.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3461  -10.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066   -9.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191   -9.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056  -10.9941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6207   -9.5857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8200   -9.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481  -11.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9184   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6329   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3473   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0618   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7763   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9184   -8.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750  -11.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895  -11.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750  -10.4893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605  -11.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481  -12.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625  -13.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336  -13.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605   -7.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194   -7.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  6  0  0  0
  5 13  1  6  0  0  0
  8 14  1  1  0  0  0
  9 16  1  1  0  0  0
 16 15  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 17 20  1  1  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 13 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 20  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  9 15  1  6  0  0  0
  6 34  1  6  0  0  0
 10 35  1  1  0  0  0
M  END
Download

3D MOL for NP0337568 (8-Pentanoylneosolaniol)

Download
3D SDF for NP0337568 (8-Pentanoylneosolaniol)

  Mrv2104 05262313572D          

 35 38  0  0  0  0            999 V2000
   -5.7750   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -9.2518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7750   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605   -9.2518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0605   -8.4268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3461   -8.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3461   -9.6643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6316   -9.2518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6316   -8.4268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2039   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2039   -9.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605  -10.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3461  -10.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066   -9.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191   -9.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056  -10.9941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6207   -9.5857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8200   -9.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481  -11.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9184   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6329   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3473   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0618   -9.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7763   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9184   -8.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750  -11.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895  -11.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750  -10.4893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605  -11.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481  -12.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625  -13.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336  -13.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605   -7.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194   -7.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  6  0  0  0
  5 13  1  6  0  0  0
  8 14  1  1  0  0  0
  9 16  1  1  0  0  0
 16 15  1  0  0  0  0
  8 17  1  0  0  0  0
 10 18  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 17 20  1  1  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 13 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 20  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  9 15  1  6  0  0  0
  6 34  1  6  0  0  0
 10 35  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0337568

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCCC

> <INCHI_IDENTIFIER>
InChI=1/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24-/s2

> <INCHI_KEY>
QXHICULSTMOREA-SGAXUIOGNA-N

> <FORMULA>
C24H34O9

> <MOLECULAR_WEIGHT>
466.527

> <EXACT_MASS>
466.220282675

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.47653876398449

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl pentanoate

> <JCHEM_LOGP>
1.1769871256666655

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.072305054496203

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6419737691633602

> <JCHEM_POLAR_SURFACE_AREA>
120.89000000000001

> <JCHEM_REFRACTIVITY>
113.59559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl pentanoate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0337568 (8-Pentanoylneosolaniol)
Download
PDB for NP0337568 (8-Pentanoylneosolaniol)
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     -10.780 -14.960   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.114 -15.730   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.114 -17.270   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.780 -18.040   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.446 -17.270   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.446 -15.730   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -8.113 -14.960   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -8.113 -18.040   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.779 -17.270   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.779 -15.730   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -13.447 -14.960   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -13.447 -18.040   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -9.446 -18.810   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.113 -19.580   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -5.239 -17.270   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -6.009 -18.604   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.677 -20.522   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.025 -17.893   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.531 -17.522   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.383 -22.034   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0     -14.781 -17.270   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -16.115 -18.040   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -17.448 -17.270   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -18.782 -18.040   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -20.116 -17.270   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -14.781 -15.730   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0     -10.780 -21.120   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -12.114 -21.890   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -10.780 -19.580   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -9.446 -21.890   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.383 -23.574   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.717 -24.344   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -3.049 -24.344   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0      -9.446 -14.190   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -6.010 -14.396   0.000  0.00  0.00           H+0
CONECT    1    2    6                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8   13                                             
CONECT    6    1    7    5   34                                             
CONECT    7    6   10                                                       
CONECT    8    5    9   14   17                                             
CONECT    9    8   10   16   15                                             
CONECT   10    9    7   18   35                                             
CONECT   11    2                                                            
CONECT   12    3   21                                                       
CONECT   13    5   29                                                       
CONECT   14    8                                                            
CONECT   15   16    9                                                       
CONECT   16    9   15                                                       
CONECT   17    8   18   20                                                  
CONECT   18   10   17   19                                                  
CONECT   19   18                                                            
CONECT   20   17   31                                                       
CONECT   21   12   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   21                                                            
CONECT   27   28   29   30                                                  
CONECT   28   27                                                            
CONECT   29   13   27                                                       
CONECT   30   27                                                            
CONECT   31   20   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34    6                                                            
CONECT   35   10                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

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3D PDB for NP0337568 (8-Pentanoylneosolaniol)
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SMILES for NP0337568 (8-Pentanoylneosolaniol)
[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCCC
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INCHI for NP0337568 (8-Pentanoylneosolaniol)
InChI=1/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24-/s2
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View in JSmol
SynonymsNot Available
Chemical FormulaC24H34O9
Average Mass466.5270 Da
Monoisotopic Mass466.22028 Da
IUPAC Name(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl pentanoate
Traditional Name(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl pentanoate
CAS Registry NumberNot Available
SMILES
[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CCCC
InChI Identifier
InChI=1/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24-/s2
InChI KeyQXHICULSTMOREA-SGAXUIOGNA-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 trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassSesquiterpenoids  
Direct ParentTrichothecenes  
Alternative Parents
Substituents
  • Trichothecene skeleton
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  • Tricarboxylic acid or derivatives
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  • Fatty acid ester
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  • Oxepane
    • 

  • Oxane
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  • Fatty acyl
    • 

  • Cyclic alcohol
    • 

  • Secondary alcohol
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  • Carboxylic acid ester
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  • Oxacycle
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  • Ether
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  • Oxirane
    • 

  • Dialkyl ether
    • 

  • Carboxylic acid derivative
    • 

  • Organoheterocyclic compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organooxygen compound
    • 

  • Organic oxygen compound
    • 

  • Alcohol
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  • Carbonyl group
    • 

  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic 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
logP1.18ChemAxon
pKa (Strongest Acidic)13.07ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area120.89 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity113.6 m³·mol⁻¹ChemAxon
Polarizability48.48 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 ReferencesNot Available