Np mrd loader

Showing NP-Card for Grandinin (NP0049390)

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Record Information
Version2.0
Created at2022-03-17 21:11:47 UTC
Updated at2022-03-17 21:11:47 UTC
NP-MRD IDNP0049390
Secondary Accession NumbersNone
Natural Product Identification
Common NameGrandinin
Description Grandinin is found in Castanea mollissima, Lagerstroemia speciosa, Melaleuca leucadendra, Quercus petraea, Quercus phillyraeoides, Quercus robur, Quercus suber, Syzygium aqueum and Syzygium grande.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049390 (Grandinin)


  Mrv0541 02241217382D          

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M  END
Download

3D MOL for NP0049390 (Grandinin)

Download
3D SDF for NP0049390 (Grandinin)

  Mrv0541 02241217382D          

 76 85  0  0  0  0            999 V2000
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 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 69  1  0  0  0  0
 22 75  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 53  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 44 45  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 56  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 58  1  0  0  0  0
 56 57  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 67 68  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71 74  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049390

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1COC(O)(C(O)C1O)C1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C46H34O30/c47-9-1-6-14(28(55)24(9)51)15-7(2-10(48)25(52)29(15)56)43(67)74-37-13(5-71-41(6)65)73-42(66)8-3-11(49)26(53)30(57)16(8)17-20-18(32(59)35(62)31(17)58)19-21-22(34(61)36(63)33(19)60)23(38(75-45(21)69)39(37)76-44(20)68)46(70)40(64)27(54)12(50)4-72-46/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2

> <INCHI_KEY>
ZVFDKYBWZMATCT-UHFFFAOYSA-N

> <FORMULA>
C46H34O30

> <MOLECULAR_WEIGHT>
1066.7442

> <EXACT_MASS>
1066.113489748

> <JCHEM_ACCEPTOR_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
94.27171356092663

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
19

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11(16),12,14,23(28),24,26,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone

> <ALOGPS_LOGP>
2.13

> <JCHEM_LOGP>
0.4706321163333335

> <ALOGPS_LOGS>
-1.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.5755170628599275

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.152319434454453

> <JCHEM_PKA_STRONGEST_BASIC>
-6.176121906972992

> <JCHEM_POLAR_SURFACE_AREA>
525.1000000000001

> <JCHEM_REFRACTIVITY>
239.38090000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.51e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11(16),12,14,23(28),24,26,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0049390 (Grandinin)
Download
PDB for NP0049390 (Grandinin)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -6.318  -8.183   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.179  -7.354   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.179  -5.801   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.936  -4.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.486  -5.282   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.486  -6.940   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.071  -8.494   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       6.733   6.318   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.490   5.386   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.490   3.936   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.043   3.418   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.350   7.769   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.143   6.318   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.796   5.386   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.522   3.936   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.454   3.107   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.864   3.832   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.589   2.693   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.346   2.278   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.761   1.036   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.004   0.415   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.075  -0.828   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.625  -0.828   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.175   8.494   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.657   7.147   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.657   5.490   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.107   5.179   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.247   4.143   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.801   4.557   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.318   6.008   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -7.872   6.318   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.517   2.278   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.207   0.932   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.036   0.001   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.036  -1.553   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       0.310  -2.382   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.657  -1.761   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.346   3.729   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.103   3.625   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.103   5.179   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.346   5.904   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.036   7.458   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.071   8.597   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -0.414   7.976   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -0.517   9.530   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -4.247   8.701   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -3.625   6.629   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.179   7.147   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -5.697   8.597   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       3.522  -6.215   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       2.071  -5.801   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       1.657  -4.350   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.103  -3.936   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -1.036  -4.972   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -0.517  -6.422   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       0.932  -6.836   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       1.553  -8.287   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -0.517  -7.976   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      -6.318  -3.625   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      -4.765  -3.418   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      -4.557  -1.864   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      -3.315  -1.036   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -2.589   0.208   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      -2.900   1.761   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      -4.247   2.486   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      -5.697   1.761   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0      -3.625  -7.872   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      -3.522  -9.530   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0       5.075  -1.864   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0       6.008  -2.382   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       6.940  -1.864   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0       7.872  -2.486   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0       7.872  -0.310   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0       6.940  -0.828   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       6.008  -0.310   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0       6.008   0.725   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   67                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   60                                                  
CONECT    5    4    6   54                                                  
CONECT    6    5    7   67                                                  
CONECT    7    6                                                            
CONECT    8    9                                                            
CONECT    9    8   10   13                                                  
CONECT   10    9   11   16                                                  
CONECT   11   10                                                            
CONECT   12   13                                                            
CONECT   13    9   12   14                                                  
CONECT   14   13   15   41                                                  
CONECT   15   14   16   18                                                  
CONECT   16   10   15   21                                                  
CONECT   17   18                                                            
CONECT   18   15   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   33                                                  
CONECT   21   16   20   22                                                  
CONECT   22   21   23   69   75                                             
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   24   26   44                                                  
CONECT   26   25   27   40                                                  
CONECT   27   26   28   47                                                  
CONECT   28   27   29   65                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   48                                                  
CONECT   31   30                                                            
CONECT   32   33   39                                                       
CONECT   33   20   32   34                                                  
CONECT   34   33   35   63                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   53                                                  
CONECT   37   36                                                            
CONECT   38   39                                                            
CONECT   39   32   38   40                                                  
CONECT   40   26   39   41                                                  
CONECT   41   14   40   42                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   25   42   45                                                  
CONECT   45   44                                                            
CONECT   46   47                                                            
CONECT   47   27   46   48                                                  
CONECT   48   30   47   49                                                  
CONECT   49   48                                                            
CONECT   50   51                                                            
CONECT   51   50   52   56                                                  
CONECT   52   51   53                                                       
CONECT   53   36   52   54                                                  
CONECT   54    5   53   55                                                  
CONECT   55   54   56   58                                                  
CONECT   56   51   55   57                                                  
CONECT   57   56                                                            
CONECT   58   55                                                            
CONECT   59   60                                                            
CONECT   60    4   59   61                                                  
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   34   62   64                                                  
CONECT   64   63   65                                                       
CONECT   65   28   64   66                                                  
CONECT   66   65                                                            
CONECT   67    2    6   68                                                  
CONECT   68   67                                                            
CONECT   69   22   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72   74                                                  
CONECT   72   71                                                            
CONECT   73   74                                                            
CONECT   74   71   73   75                                                  
CONECT   75   22   74   76                                                  
CONECT   76   75                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  170    0
END

Download
3D PDB for NP0049390 (Grandinin)
Download
SMILES for NP0049390 (Grandinin)
OC1COC(O)(C(O)C1O)C1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O
Download
INCHI for NP0049390 (Grandinin)
InChI=1S/C46H34O30/c47-9-1-6-14(28(55)24(9)51)15-7(2-10(48)25(52)29(15)56)43(67)74-37-13(5-71-41(6)65)73-42(66)8-3-11(49)26(53)30(57)16(8)17-20-18(32(59)35(62)31(17)58)19-21-22(34(61)36(63)33(19)60)23(38(75-45(21)69)39(37)76-44(20)68)46(70)40(64)27(54)12(50)4-72-46/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2
Download
View in JSmol
SynonymsNot Available
Chemical FormulaC46H34O30
Average Mass1066.7442 Da
Monoisotopic Mass1066.11349 Da
IUPAC Name7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11(16),12,14,23(28),24,26,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Traditional Name7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11(16),12,14,23(28),24,26,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone
CAS Registry Number115166-32-0
SMILES
OC1COC(O)(C(O)C1O)C1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O
InChI Identifier
InChI=1S/C46H34O30/c47-9-1-6-14(28(55)24(9)51)15-7(2-10(48)25(52)29(15)56)43(67)74-37-13(5-71-41(6)65)73-42(66)8-3-11(49)26(53)30(57)16(8)17-20-18(32(59)35(62)31(17)58)19-21-22(34(61)36(63)33(19)60)23(38(75-45(21)69)39(37)76-44(20)68)46(70)40(64)27(54)12(50)4-72-46/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2
InChI KeyZVFDKYBWZMATCT-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Castanea mollissimaLOTUS Database
Lagerstroemia speciosaLOTUS Database
Melaleuca leucadendraLOTUS Database
Psidium guajavaFooDB
Quercus petraeaLOTUS Database
Quercus phillyraeoidesLOTUS Database
Quercus roburLOTUS Database
Quercus suberLOTUS Database
Syzygium aqueumLOTUS Database
Syzygium grandeLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassTannins  
Sub ClassHydrolyzable tannins  
Direct ParentHydrolyzable tannins  
Alternative Parents
Substituents
  • Hydrolyzable tannin
    • 

  • Pentacarboxylic acid or derivatives
    • 

  • Gallic acid or derivatives
    • 

  • Benzopyran
    • 

  • Isochromane
    • 

  • 2-benzopyran
    • 

  • 1-hydroxy-4-unsubstituted benzenoid
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Monosaccharide
    • 

  • Oxane
    • 

  • Benzenoid
    • 

  • Lactone
    • 

  • Hemiacetal
    • 

  • Carboxylic acid ester
    • 

  • Secondary alcohol
    • 

  • Organoheterocyclic compound
    • 

  • Oxacycle
    • 

  • Carboxylic acid derivative
    • 

  • Polyol
    • 

  • Organooxygen compound
    • 

  • Alcohol
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic 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
logP2.13ALOGPS
logP0.47ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)7.15ChemAxon
pKa (Strongest Basic)-6.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count25ChemAxon
Hydrogen Donor Count19ChemAxon
Polar Surface Area525.1 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity239.38 m³·mol⁻¹ChemAxon
Polarizability94.27 ųChemAxon
Number of Rings10ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB018941  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGrandinin  
METLIN IDNot Available
PubChem Compound14428075  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available