Np mrd loader

Showing NP-Card for 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid (NP0335181)

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Record Information
Version2.0
Created at2024-09-11 00:22:50 UTC
Updated at2024-09-11 00:22:50 UTC
NP-MRD IDNP0335181
Secondary Accession NumbersNone
Natural Product Identification
Common Name3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid
Description3Alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid is also known as 3α-acetomethoxy-11α-oxo-12-ursen-24-Oate. Based on a literature review very few articles have been published on 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)


  Mrv2104 05262302552D          

 39 43  0  0  0  0            999 V2000
   -6.2071   -3.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -5.2054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2071   -5.6179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4927   -5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -4.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7782   -3.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7782   -5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -4.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0637   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7782   -3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -3.9678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3493   -3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -2.7303    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6348   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6348   -1.9053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.2059   -1.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6361   -5.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2071   -6.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -6.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6348   -3.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3505   -4.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 12  7  1  0  0  0  0
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  3 23  1  6  0  0  0
  4 24  1  1  0  0  0
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 24 26  2  0  0  0  0
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  6 28  1  1  0  0  0
 10 29  1  1  0  0  0
 13 30  1  6  0  0  0
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 15 32  1  1  0  0  0
 20 33  1  1  0  0  0
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 27 35  1  0  0  0  0
 23 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 21 22  1  0  0  0  0
 18 39  1  1  0  0  0
M  END
Download

3D MOL for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)

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3D SDF for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)

  Mrv2104 05262302552D          

 39 43  0  0  0  0            999 V2000
   -6.2071   -3.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -5.2054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2071   -5.6179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4927   -5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -4.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7782   -3.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7782   -5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -4.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0637   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7782   -3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -3.9678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3493   -3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -2.7303    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6348   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -3.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -3.1428    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9203   -1.4928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6348   -1.9053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2059   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -1.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6361   -5.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2071   -6.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -6.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -4.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927   -2.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -3.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9216   -7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3506   -5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0650   -5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3505   -4.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -3.5553    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
  1  6  1  0  0  0  0
  7  6  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 13  1  0  0  0  0
  7 10  1  0  0  0  0
 12  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 15 14  1  0  0  0  0
 14 13  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 15 18  1  0  0  0  0
 20 15  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
  3 23  1  6  0  0  0
  4 24  1  1  0  0  0
  4 25  1  6  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  6 28  1  1  0  0  0
 10 29  1  1  0  0  0
 13 30  1  6  0  0  0
 12 31  2  0  0  0  0
 15 32  1  1  0  0  0
 20 33  1  1  0  0  0
 19 34  1  6  0  0  0
 27 35  1  0  0  0  0
 23 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 21 22  1  0  0  0  0
 18 39  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0335181

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C3CC[C@@]12C)C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/s2

> <INCHI_KEY>
LFLJTCVAAOWHTD-BUBFBJHANA-N

> <FORMULA>
C33H50O5

> <MOLECULAR_WEIGHT>
526.758

> <EXACT_MASS>
526.36582471

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
61.12287633526293

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate

> <JCHEM_LOGP>
6.605319478999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.00618765836971

> <JCHEM_PKA_STRONGEST_BASIC>
-5.108203744669726

> <JCHEM_POLAR_SURFACE_AREA>
69.67

> <JCHEM_REFRACTIVITY>
148.2626

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)
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PDB for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)
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     -11.587  -7.407   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.920  -8.177   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.920  -9.717   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.587 -10.487   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.253  -9.717   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.253  -8.177   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.919  -7.407   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.919 -10.487   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.586  -9.717   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.586  -8.177   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.586  -5.097   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.919  -5.867   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.252  -7.407   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.252  -5.867   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.918  -5.097   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.918  -8.177   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.585  -7.407   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.585  -5.867   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.585  -2.787   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.918  -3.557   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.251  -5.097   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.251  -3.557   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -14.254 -10.487   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0     -11.587 -12.027   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -12.920 -11.257   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -10.253 -12.797   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -12.920 -12.797   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -10.253  -6.637   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.586  -6.637   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.252  -8.947   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -10.253  -5.097   0.000  0.00  0.00           O+0
HETATM   32  H   UNK     0      -4.918  -6.637   0.000  0.00  0.00           H+0
HETATM   33  C   UNK     0      -6.252  -2.787   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.585  -1.247   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -12.920 -14.337   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -15.588  -9.717   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -16.921 -10.487   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0     -15.588  -8.177   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -2.251  -6.637   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5   24   25                                             
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5   28                                             
CONECT    7    6   10   12                                                  
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   13    7   29                                             
CONECT   11   12   14                                                       
CONECT   12    7   11   31                                                  
CONECT   13   10   14   16   30                                             
CONECT   14   11   15   13                                                  
CONECT   15   14   18   20   32                                             
CONECT   16   13   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   21   15   39                                             
CONECT   19   20   22   34                                                  
CONECT   20   15   19   33                                                  
CONECT   21   18   22                                                       
CONECT   22   19   21                                                       
CONECT   23    3   36                                                       
CONECT   24    4   26   27                                                  
CONECT   25    4                                                            
CONECT   26   24                                                            
CONECT   27   24   35                                                       
CONECT   28    6                                                            
CONECT   29   10                                                            
CONECT   30   13                                                            
CONECT   31   12                                                            
CONECT   32   15                                                            
CONECT   33   20                                                            
CONECT   34   19                                                            
CONECT   35   27                                                            
CONECT   36   23   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   18                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

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3D PDB for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)
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SMILES for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C3CC[C@@]12C)C(=O)OC
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INCHI for NP0335181 (3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid)
InChI=1/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/s2
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Synonyms
ValueSource
3a-Acetomethoxy-11a-oxo-12-ursen-24-OateGenerator
3a-Acetomethoxy-11a-oxo-12-ursen-24-Oic acidGenerator
3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-OateGenerator
3Α-acetomethoxy-11α-oxo-12-ursen-24-OateGenerator
3Α-acetomethoxy-11α-oxo-12-ursen-24-Oic acidGenerator
Chemical FormulaC33H50O5
Average Mass526.7580 Da
Monoisotopic Mass526.36582 Da
IUPAC Namemethyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate
Traditional Namemethyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate
CAS Registry NumberNot Available
SMILES
[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)C2[C@@]3(C)CC[C@@H](OC(C)=O)[C@@](C)(C3CC[C@@]12C)C(=O)OC
InChI Identifier
InChI=1/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/s2
InChI KeyLFLJTCVAAOWHTD-BUBFBJHANA-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 triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassTriterpenoids  
Direct ParentTriterpenoids  
Alternative Parents
Substituents
  • Triterpenoid
    • 

  • Steroid
    • 

  • Cyclohexenone
    • 

  • Dicarboxylic acid or derivatives
    • 

  • Methyl ester
    • 

  • Ketone
    • 

  • Carboxylic acid ester
    • 

  • Carboxylic acid derivative
    • 

  • Organic oxygen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Carbonyl group
    • 

  • 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
logP6.61ChemAxon
pKa (Strongest Acidic)19.01ChemAxon
pKa (Strongest Basic)-5.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area69.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity148.26 m³·mol⁻¹ChemAxon
Polarizability61.12 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
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