Np mrd loader

Showing NP-Card for Betavulgaroside IX (NP0335609)

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Record Information
Version2.0
Created at2024-09-11 02:24:03 UTC
Updated at2024-09-11 02:24:03 UTC
NP-MRD IDNP0335609
Secondary Accession NumbersNone
Natural Product Identification
Common NameBetavulgaroside IX
DescriptionBetavulgaroside IX belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Based on a literature review very few articles have been published on Betavulgaroside IX.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0335609 (Betavulgaroside IX)


  Mrv2104 05262304562D          

 76 83  0  0  0  0            999 V2000
   10.5262    4.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6276    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9131    3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1986    2.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for NP0335609 (Betavulgaroside IX)

Download
3D SDF for NP0335609 (Betavulgaroside IX)

  Mrv2104 05262304562D          

 76 83  0  0  0  0            999 V2000
   10.5262    4.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 32  1  0  0  0  0
 42 33  1  0  0  0  0
 43 35  1  0  0  0  0
 44 38  1  0  0  0  0
 46  1  1  0  0  0  0
 46  2  1  0  0  0  0
 46 13  1  0  0  0  0
 46 17  1  0  0  0  0
 47  3  1  0  0  0  0
 47  4  1  0  0  0  0
 47 25  1  0  0  0  0
 47 27  1  0  0  0  0
 48  5  1  0  0  0  0
 48 11  1  0  0  0  0
 48 25  1  0  0  0  0
 48 26  1  0  0  0  0
 49  6  1  0  0  0  0
 49 14  1  0  0  0  0
 49 21  1  0  0  0  0
 50 12  1  0  0  0  0
 50 26  1  0  0  0  0
 50 49  1  0  0  0  0
 51 15  1  0  0  0  0
 51 16  1  0  0  0  0
 51 22  1  0  0  0  0
 51 45  1  0  0  0  0
 52 18  1  0  0  0  0
 53 23  1  0  0  0  0
 54 28  2  0  0  0  0
 55 28  1  0  0  0  0
 56 29  1  0  0  0  0
 57 30  1  0  0  0  0
 58 31  1  0  0  0  0
 59 32  1  0  0  0  0
 60 33  1  0  0  0  0
 61 34  1  0  0  0  0
 62 35  1  0  0  0  0
 63 39  2  0  0  0  0
 64 39  1  0  0  0  0
 65 40  2  0  0  0  0
 66 40  1  0  0  0  0
 67 45  2  0  0  0  0
 68 19  1  0  0  0  0
 68 41  1  0  0  0  0
 69 20  1  0  0  0  0
 69 44  1  0  0  0  0
 70 24  1  0  0  0  0
 70 42  1  0  0  0  0
 71 27  1  0  0  0  0
 71 43  1  0  0  0  0
 72 36  1  0  0  0  0
 72 44  1  0  0  0  0
 73 37  1  0  0  0  0
 73 43  1  0  0  0  0
 74 38  1  0  0  0  0
 74 41  1  0  0  0  0
 75 42  1  0  0  0  0
 75 45  1  0  0  0  0
 50 76  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335609

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(OC7OCC(O)C(O)C7O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)

> <INCHI_KEY>
SNRZYTINECPXAE-UHFFFAOYNA-N

> <FORMULA>
C52H80O24

> <MOLECULAR_WEIGHT>
1089.188

> <EXACT_MASS>
1088.503953456

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_ATOM_COUNT>
156

> <JCHEM_AVERAGE_POLARIZABILITY>
111.20487778756701

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

> <JCHEM_LOGP>
1.135553486666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.184730523514664

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6497217624178715

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9475420234002905

> <JCHEM_POLAR_SURFACE_AREA>
384.8800000000001

> <JCHEM_REFRACTIVITY>
253.52630000000016

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0335609 (Betavulgaroside IX)
Download
PDB for NP0335609 (Betavulgaroside IX)
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      19.649   9.322   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.629   9.322   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.626  -0.738   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.647  -0.738   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.971   4.292   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.972   1.982   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.638   5.832   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.304   5.062   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.304   0.442   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.303   2.752   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.637   3.522   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.638   1.212   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      21.973   7.372   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.305   2.752   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.973   5.832   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.639   3.522   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.305   7.372   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      25.974   0.442   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.700  -4.178   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.968  -3.408   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.972   5.062   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.305   5.832   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.700  -5.718   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      25.974   1.982   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.971   1.212   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.304   3.522   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.303   1.212   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.302  -4.178   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.634  -6.488   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      27.307   2.752   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.307   4.292   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.967  -5.718   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.974   5.062   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.968   2.752   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.302   0.442   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.968   1.212   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.302   3.522   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.301  -1.868   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.302   5.062   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.967  -1.098   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.967  -4.178   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      24.640   4.292   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.636   1.212   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.635  -1.098   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      21.973   4.292   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      20.639   8.142   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      12.637   0.442   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.971   2.752   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      17.972   3.522   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      16.638   2.752   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      20.639   5.062   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      27.307  -0.328   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -2.034  -6.488   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0       8.636  -3.408   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0       7.302  -5.718   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       0.634  -8.028   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      28.641   1.982   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      28.641   5.062   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0       3.301  -6.488   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      25.974   6.602   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0       4.635   3.522   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0       7.302  -1.098   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0       8.636   5.832   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0       5.968   5.832   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0       0.634  -1.868   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0       1.967   0.442   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      21.973   2.752   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0       0.634  -3.408   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0       5.968  -1.868   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      24.640   2.752   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0       9.969   0.442   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0       4.635   0.442   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0       8.636   2.752   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0       3.301  -3.408   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      23.306   5.062   0.000  0.00  0.00           O+0
HETATM   76  C   UNK     0      16.638   4.292   0.000  0.00  0.00           C+0
CONECT    1   46                                                            
CONECT    2   46                                                            
CONECT    3   47                                                            
CONECT    4   47                                                            
CONECT    5   48                                                            
CONECT    6   49                                                            
CONECT    7    8   21                                                       
CONECT    8    7   26                                                       
CONECT    9   12   25                                                       
CONECT   10   11   27                                                       
CONECT   11   10   48                                                       
CONECT   12    9   50                                                       
CONECT   13   15   46                                                       
CONECT   14   16   49                                                       
CONECT   15   13   51                                                       
CONECT   16   14   51                                                       
CONECT   17   22   46                                                       
CONECT   18   24   52                                                       
CONECT   19   23   68                                                       
CONECT   20   28   69                                                       
CONECT   21    7   22   49                                                  
CONECT   22   17   21   51                                                  
CONECT   23   19   29   53                                                  
CONECT   24   18   30   70                                                  
CONECT   25    9   47   48                                                  
CONECT   26    8   48   50                                                  
CONECT   27   10   47   71                                                  
CONECT   28   20   54   55                                                  
CONECT   29   23   32   56                                                  
CONECT   30   24   31   57                                                  
CONECT   31   30   33   58                                                  
CONECT   32   29   41   59                                                  
CONECT   33   31   42   60                                                  
CONECT   34   36   37   61                                                  
CONECT   35   36   43   62                                                  
CONECT   36   34   35   72                                                  
CONECT   37   34   39   73                                                  
CONECT   38   40   44   74                                                  
CONECT   39   37   63   64                                                  
CONECT   40   38   65   66                                                  
CONECT   41   32   68   74                                                  
CONECT   42   33   70   75                                                  
CONECT   43   35   71   73                                                  
CONECT   44   38   69   72                                                  
CONECT   45   51   67   75                                                  
CONECT   46    1    2   13   17                                             
CONECT   47    3    4   25   27                                             
CONECT   48    5   11   25   26                                             
CONECT   49    6   14   21   50                                             
CONECT   50   12   26   49   76                                             
CONECT   51   15   16   22   45                                             
CONECT   52   18                                                            
CONECT   53   23                                                            
CONECT   54   28                                                            
CONECT   55   28                                                            
CONECT   56   29                                                            
CONECT   57   30                                                            
CONECT   58   31                                                            
CONECT   59   32                                                            
CONECT   60   33                                                            
CONECT   61   34                                                            
CONECT   62   35                                                            
CONECT   63   39                                                            
CONECT   64   39                                                            
CONECT   65   40                                                            
CONECT   66   40                                                            
CONECT   67   45                                                            
CONECT   68   19   41                                                       
CONECT   69   20   44                                                       
CONECT   70   24   42                                                       
CONECT   71   27   43                                                       
CONECT   72   36   44                                                       
CONECT   73   37   43                                                       
CONECT   74   38   41                                                       
CONECT   75   42   45                                                       
CONECT   76   50                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  166    0
END

Download
3D PDB for NP0335609 (Betavulgaroside IX)
Download
SMILES for NP0335609 (Betavulgaroside IX)
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(OC7OCC(O)C(O)C7O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O
Download
INCHI for NP0335609 (Betavulgaroside IX)
InChI=1/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)
Download
View in JSmol
SynonymsNot Available
Chemical FormulaC52H80O24
Average Mass1089.1880 Da
Monoisotopic Mass1088.50395 Da
IUPAC Name6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
Traditional Name6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(OC7OCC(O)C(O)C7O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)
InChI KeySNRZYTINECPXAE-UHFFFAOYNA-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 triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane,  lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassTerpene glycosides  
Direct ParentTriterpene saponins  
Alternative Parents
Substituents
  • Triterpene saponin
    • 

  • Triterpenoid
    • 

  • 1-o-glucuronide
    • 

  • O-glucuronide
    • 

  • Glucuronic acid or derivatives
    • 

  • Tetracarboxylic acid or derivatives
    • 

  • Disaccharide
    • 

  • Glycosyl compound
    • 

  • O-glycosyl compound
    • 

  • Beta-hydroxy acid
    • 

  • Pyran
    • 

  • Oxane
    • 

  • Hydroxy acid
    • 

  • Secondary alcohol
    • 

  • Carboxylic acid ester
    • 

  • Organoheterocyclic compound
    • 

  • Polyol
    • 

  • Oxacycle
    • 

  • Carboxylic acid derivative
    • 

  • Carboxylic acid
    • 

  • Acetal
    • 

  • Primary alcohol
    • 

  • Organic oxygen compound
    • 

  • Alcohol
    • 

  • Organic oxide
    • 

  • Carbonyl group
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • 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
logP1.14ChemAxon
pKa (Strongest Acidic)2.65ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count23ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area384.88 ŲChemAxon
Rotatable Bond Count16ChemAxon
Refractivity253.53 m³·mol⁻¹ChemAxon
Polarizability111.2 ųChemAxon
Number of Rings8ChemAxon
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 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