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Showing NP-Card for Pimpinellidine (NP0045417)

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Record Information
Version2.0
Created at2022-03-17 19:19:37 UTC
Updated at2022-03-17 19:19:37 UTC
NP-MRD IDNP0045417
Secondary Accession NumbersNone
Natural Product Identification
Common NamePimpinellidine
Description Pimpinellidine is found in Alstonia moirei, Angelica archangelica, Angelica dahurica, Angelica genuflexa, Archangelica brevicaulis, Artemisia canariensis, Clausena anisata , Cyperus papyrus , Deverra triradiata, Dorstenia asaroides, Dorstenia bahiensis, Dorstenia barnimiana, Dorstenia brasiliensis , Dorstenia bryonifolia, Dorstenia cayapiaa, Dorstenia contrajerva , Dorstenia drakena , Dorstenia excentria, Dorstenia heringerii, Dorstenia lindeniana, Dorstenia psilurus, Esenbeckia grandiflora, Heracleum asperum, Heracleum candicans, Heracleum candicans WALL. , Heracleum dissectum, Heracleum grandiflorum, Heracleum maximum, Heracleum lehmannianum, Heracleum mantegazzianum, Heracleum moellendoeffii, Heracleum moellendorffii Hance, Heracleum moellendorffii Hance var.paucivitatum, Heracleum pastinacifolium, Heracleum persicum, Heracleum ponticum, Heracleum rapula, Heracleum scabridum, Heracleum sphondylium , Heracleum spp., Heracleum stevenii, Heracleum woroschiklowii, Heracleum yungningense, Hypericum revolutum, Peucedanum govanianum var.bicolo, Pimpinella magna, Pimpinella saxifraga , Stellera chamaejasme and Toddalia asiatica .
Structure
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MOL3D MOLSDFPDBSMILESInChI

MOL for NP0045417 (Pimpinellidine)

Pimpinellin 
  Mrv1572001071617262D          
 
 18 20  0  0  0  0            999 V2000
   16.3231  -10.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0382  -10.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6560  -10.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1374  -11.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0520   -9.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7466  -10.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6216   -9.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9889  -10.9588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3155  -11.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437   -9.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7706   -9.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5065  -10.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9098   -9.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3506   -8.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4790   -9.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -10.8797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1878   -9.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0692   -7.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
Download

3D MOL for NP0045417 (Pimpinellidine)

     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.4392    2.9415    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    1.9069   -0.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904    0.7253   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -0.4048    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719   -0.3842    0.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337   -0.7432   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711   -1.5824    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411   -2.7533    0.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -3.5737    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410   -2.9015    0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8108   -1.6240    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266   -0.5033    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322   -0.5681    0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5771    0.4608   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    0.3664   -0.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984    1.6581   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6156    1.7990   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888    0.6850   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    3.5222   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6606    2.5349    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152    3.6961    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    0.1406   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2296   -1.3408   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130   -1.3757   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762   -4.6042    1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400   -3.3012    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313    2.4910   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1553    2.7327   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  3 18  1  0
 18 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 12 11  1  0
 11  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  7  4  1  0
 17 18  1  0
 10 11  1  0
  6 22  1  0
  6 23  1  0
  6 24  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
 16 27  1  0
 17 28  1  0
  9 25  1  0
 10 26  1  0
M  END
Download

3D SDF for NP0045417 (Pimpinellidine)

Pimpinellin 
  Mrv1572001071617262D          
 
 18 20  0  0  0  0            999 V2000
   16.3231  -10.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0382  -10.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6560  -10.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1374  -11.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0520   -9.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7466  -10.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6216   -9.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9889  -10.9588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3155  -11.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437   -9.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7706   -9.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5065  -10.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9098   -9.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3506   -8.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4790   -9.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -10.8797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1878   -9.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0692   -7.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045417

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3

> <INCHI_KEY>
BQPRWZCEKZLBHL-UHFFFAOYSA-N

> <FORMULA>
C13H10O5

> <MOLECULAR_WEIGHT>
246.218

> <EXACT_MASS>
246.052823422

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
23.87660492557565

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,6-dimethoxy-2H-furo[2,3-h]chromen-2-one

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
1.6271404846666666

> <ALOGPS_LOGS>
-3.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8622042994971286

> <JCHEM_POLAR_SURFACE_AREA>
57.900000000000006

> <JCHEM_REFRACTIVITY>
63.31610000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pimpinellin

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for NP0045417 (Pimpinellidine)

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PDB for NP0045417 (Pimpinellidine)
HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Pimpinellin                                       
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      30.470 -20.232   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      31.805 -19.474   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.225 -19.442   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.123 -21.734   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      31.830 -17.941   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      33.127 -20.264   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      29.160 -17.908   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      27.979 -20.456   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      28.589 -21.875   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      30.508 -17.145   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.172 -17.189   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.545 -19.519   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      27.832 -17.119   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      30.521 -15.604   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      34.494 -17.979   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      35.791 -20.309   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      26.484 -17.876   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      31.863 -14.853   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13   10                                                  
CONECT    8    3    9                                                       
CONECT    9    4    8                                                       
CONECT   10    5   14    7                                                  
CONECT   11    5   15                                                       
CONECT   12    6   16   15                                                  
CONECT   13    7   17                                                       
CONECT   14   10   18                                                       
CONECT   15   11   12                                                       
CONECT   16   12                                                            
CONECT   17   13                                                            
CONECT   18   14                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   40    0
END

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3D PDB for NP0045417 (Pimpinellidine)
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SMILES for NP0045417 (Pimpinellidine)
COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2
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INCHI for NP0045417 (Pimpinellidine)
InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
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View in JSmol
SynonymsNot Available
Chemical FormulaC13H10O5
Average Mass246.2180 Da
Monoisotopic Mass246.05282 Da
IUPAC Name5,6-dimethoxy-2H-furo[2,3-h]chromen-2-one
Traditional Namepimpinellin
CAS Registry Number131-12-4
SMILES
COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2
InChI Identifier
InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
InChI KeyBQPRWZCEKZLBHL-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Alstonia moireiPlant
Angelica archangelicaLOTUS Database
Angelica dahuricaLOTUS Database
Angelica genuflexaPlant
Archangelica brevicaulis-
Artemisia canariensisPlant
Clausena anisataPlant
Cyperus papyrusPlant
Deverra triradiataLOTUS Database
Dorstenia asaroidesPlant
Dorstenia bahiensisPlant
Dorstenia barnimianaPlant
Dorstenia brasiliensisPlant
Dorstenia bryonifoliaPlant
Dorstenia cayapiaaPlant
Dorstenia contrajervaPlant
Dorstenia drakenaPlant
Dorstenia excentriaPlant
Dorstenia heringeriiPlant
Dorstenia lindenianaPlant
Dorstenia psilurusPlant
Esenbeckia grandifloraLOTUS Database
Heracleum asperumPlant
Heracleum candicansLOTUS Database
Heracleum candicans WALL.Plant
Heracleum dissectumPlant
Heracleum grandiflorumPlant
Heracleum lanatumLOTUS Database
Heracleum lehmannianumPlant
Heracleum mantegazzianumLOTUS Database
Heracleum moellendoeffiiPlant
Heracleum moellendorffii HancePlant
Heracleum moellendorffii Hance var.paucivitatumPlant
Heracleum pastinacifoliumLOTUS Database
Heracleum persicumLOTUS Database
Heracleum ponticumPlant
Heracleum rapulaLOTUS Database
Heracleum scabridumPlant
Heracleum sphondyliumPlant
Heracleum spp.Plant
Heracleum steveniiLOTUS Database
Heracleum woroschiklowiiPlant
Heracleum yungningensePlant
Hypericum revolutumLOTUS Database
Peucedanum govanianum var.bicoloPlant
Pimpinella magnaPlant
Pimpinella saxifragaPlant
Solanum lycopersicumFooDB
    • Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
Stellera chamaejasmePlant
Toddalia asiaticaPlant
Chemical Taxonomy
Description Belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassCoumarins and derivatives  
Sub ClassFuranocoumarins  
Direct ParentAngular furanocoumarins  
Alternative Parents
Substituents
  • Angular furanocoumarin
    • 

  • Benzopyran
    • 

  • 1-benzopyran
    • 

  • Benzofuran
    • 

  • Anisole
    • 

  • Alkyl aryl ether
    • 

  • Pyranone
    • 

  • Pyran
    • 

  • Benzenoid
    • 

  • Furan
    • 

  • Heteroaromatic compound
    • 

  • Lactone
    • 

  • Oxacycle
    • 

  • Ether
    • 

  • Organoheterocyclic compound
    • 

  • Organic oxygen compound
    • 

  • Organooxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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
logP2ALOGPS
logP1.63ChemAxon
logS-3.2ALOGPS
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.9 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity63.32 m³·mol⁻¹ChemAxon
Polarizability23.88 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000714  
KNApSAcK IDC00002493  
Chemspider IDNot Available
KEGG Compound IDC09285  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4825  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available