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Showing NP-Card for annosquatin-i, (rel)- (NP0227149)

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Record Information
Version2.0
Created at2022-09-06 06:23:23 UTC
Updated at2022-09-06 06:23:23 UTC
NP-MRD IDNP0227149
Secondary Accession NumbersNone
Natural Product Identification
Common Nameannosquatin-i, (rel)-
DescriptionCHEBI:68969 Belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. annosquatin-i, (rel)- is found in Annona squamosa. Based on a literature review very few articles have been published on CHEBI:68969.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0227149 (annosquatin-i, (rel)-)


  Mrv1652309062208232D          

 45 47  0  0  1  0            999 V2000
   -4.1675   -6.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829   -7.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -6.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -6.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -6.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5436   -5.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -6.5177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4160   -7.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -5.9657    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0606   -5.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -4.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -5.4227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0656   -5.3365    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4011   -4.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505   -6.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -5.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559   -6.5852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5203   -7.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -6.4989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0889   -5.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8958   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821   -6.7765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6966   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5544   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1268   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 45  1  0  0  0  0
M  END
Download

3D MOL for NP0227149 (annosquatin-i, (rel)-)

Download
3D SDF for NP0227149 (annosquatin-i, (rel)-)

  Mrv1652309062208232D          

 45 47  0  0  1  0            999 V2000
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   -3.3829   -7.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -6.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -6.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -6.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5436   -5.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -6.5177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4160   -7.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -5.9657    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0606   -5.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931   -4.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -5.4227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0656   -5.3365    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4011   -4.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505   -6.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -5.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559   -6.5852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5203   -7.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -6.4989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0889   -5.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8958   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821   -6.7765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6966   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5544   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9834   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6979   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4123   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1268   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8413   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5557   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2702   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9847   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6991   -7.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4528   -6.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8253   -7.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5924   -8.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7854   -8.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1723   -8.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2284   -7.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -6.1372    0.0000 O   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  6  0  0  0
  5  7  1  0  0  0  0
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  9  7  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
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 17 18  1  1  0  0  0
 19 17  1  6  0  0  0
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 35 36  1  0  0  0  0
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 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  2  0  0  0  0
 22 44  1  0  0  0  0
 19 44  1  0  0  0  0
 12 45  1  0  0  0  0
  9 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0227149

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC[C@H](O)[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32-,33-,34-,35-,36-/m0/s1

> <INCHI_KEY>
RWJFJCUKDFQLBE-PPRJGXARSA-N

> <FORMULA>
C37H66O8

> <MOLECULAR_WEIGHT>
638.927

> <EXACT_MASS>
638.475769085

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
78.81561321850323

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S)-3-{14-[(2R,5S)-5-[(1S,4R)-4-[(2S,5S)-5-[(1S,2S)-1,2-dihydroxyhexyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]tetradecyl}-5-methyl-2,5-dihydrofuran-2-one

> <JCHEM_LOGP>
7.607288326333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.493227307475653

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.946742998527139

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1506686511217508

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
177.75809999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-3-{14-[(2R,5S)-5-[(1S,4R)-4-[(2S,5S)-5-[(1S,2S)-1,2-dihydroxyhexyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]tetradecyl}-5-methyl-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0227149 (annosquatin-i, (rel)-)
Download
PDB for NP0227149 (annosquatin-i, (rel)-)
HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.779 -12.800   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.315 -13.276   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.170 -12.245   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.706 -12.721   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.561 -11.691   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.881 -10.184   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.097 -12.166   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.776 -13.673   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.048 -11.136   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.113  -9.604   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.294  -8.978   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.324 -10.122   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.856  -9.961   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.482  -8.555   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.761 -11.207   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.292 -11.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.198 -12.292   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.571 -13.699   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.729 -12.131   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.499 -10.798   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.006 -11.118   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.167 -12.649   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.500 -13.419   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.834 -12.649   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.168 -13.419   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.501 -12.649   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      17.835 -13.419   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      19.169 -12.649   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.502 -13.419   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.836 -12.649   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      23.170 -13.419   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      24.503 -12.649   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.837 -13.419   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      27.171 -12.649   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      28.504 -13.419   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      29.838 -12.649   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      31.172 -13.419   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      32.579 -12.793   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      33.609 -13.937   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      35.141 -13.776   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      32.839 -15.271   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      31.333 -14.951   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      30.188 -15.981   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       9.760 -13.276   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       1.554 -11.456   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   45                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   45                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   44                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   44                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   37   43                                                  
CONECT   43   42                                                            
CONECT   44   22   19                                                       
CONECT   45   12    9                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

Download
3D PDB for NP0227149 (annosquatin-i, (rel)-)
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SMILES for NP0227149 (annosquatin-i, (rel)-)
CCCC[C@H](O)[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1
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INCHI for NP0227149 (annosquatin-i, (rel)-)
InChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32-,33-,34-,35-,36-/m0/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC37H66O8
Average Mass638.9270 Da
Monoisotopic Mass638.47577 Da
IUPAC Name(5S)-3-{14-[(2R,5S)-5-[(1S,4R)-4-[(2S,5S)-5-[(1S,2S)-1,2-dihydroxyhexyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]tetradecyl}-5-methyl-2,5-dihydrofuran-2-one
Traditional Name(5S)-3-{14-[(2R,5S)-5-[(1S,4R)-4-[(2S,5S)-5-[(1S,2S)-1,2-dihydroxyhexyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]tetradecyl}-5-methyl-5H-furan-2-one
CAS Registry NumberNot Available
SMILES
CCCC[C@H](O)[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1
InChI Identifier
InChI=1S/C37H66O8/c1-3-4-19-32(40)36(41)35-25-24-34(45-35)31(39)22-21-30(38)33-23-20-29(44-33)18-16-14-12-10-8-6-5-7-9-11-13-15-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32-,33-,34-,35-,36-/m0/s1
InChI KeyRWJFJCUKDFQLBE-PPRJGXARSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Annona squamosaLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassFatty Acyls  
Sub ClassFatty alcohols  
Direct ParentAnnonaceous acetogenins  
Alternative Parents
Substituents
  • Annonaceae acetogenin skeleton
    • 

  • 2-furanone
    • 

  • Dihydrofuran
    • 

  • Alpha,beta-unsaturated carboxylic ester
    • 

  • Enoate ester
    • 

  • Tetrahydrofuran
    • 

  • Carboxylic acid ester
    • 

  • Lactone
    • 

  • Secondary alcohol
    • 

  • Carboxylic acid derivative
    • 

  • Dialkyl ether
    • 

  • Oxacycle
    • 

  • Ether
    • 

  • Organoheterocyclic compound
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxygen compound
    • 

  • Organic oxide
    • 

  • Carbonyl group
    • 

  • Alcohol
    • 

  • Organooxygen compound
    • 

  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
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
logP7.61ChemAxon
pKa (Strongest Acidic)12.95ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area125.68 ŲChemAxon
Rotatable Bond Count25ChemAxon
Refractivity177.76 m³·mol⁻¹ChemAxon
Polarizability78.82 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID28491261  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound57403970  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. LOTUS database [Link]