NP-MRD: Showing NP-Card for cassiaside c2 (NP0256147)

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Record Information

Version

2.0

Created at

2022-09-07 20:52:32 UTC

Updated at

2022-09-07 20:52:32 UTC

NP-MRD ID

NP0256147

Secondary Accession Numbers

None

Natural Product Identification

Common Name

cassiaside c2

Description

Cassiaside C2 belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Cassiaside C2 is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. cassiaside c2 is found in Senna obtusifolia. Based on a literature review very few articles have been published on cassiaside C2.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072222522D          

 64 70  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
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 12 13  1  0  0  0  0
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  3 64  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072222522D          

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M  END
> <DATABASE_ID>
NP0256147

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C2C(O)=C3C(=O)OC(C)=CC3=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C39H52O25/c1-11-3-12-4-13-5-14(55-2)6-15(20(13)26(46)21(12)35(54)58-11)59-38-31(51)28(48)23(43)18(62-38)10-57-37-33(53)34(25(45)17(8-41)61-37)64-39-32(52)29(49)24(44)19(63-39)9-56-36-30(50)27(47)22(42)16(7-40)60-36/h3-6,16-19,22-25,27-34,36-53H,7-10H2,1-2H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m1/s1

> <INCHI_KEY>
VHWFKCUSOFJPLV-XVRRVUIKSA-N

> <FORMULA>
C39H52O25

> <MOLECULAR_WEIGHT>
920.82

> <EXACT_MASS>
920.279767174

> <JCHEM_ACCEPTOR_COUNT>
24

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
89.18066414983988

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one

> <JCHEM_LOGP>
-4.450437141333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.692967377700745

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.901685676515388

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786130721304886

> <JCHEM_POLAR_SURFACE_AREA>
392.5900000000001

> <JCHEM_REFRACTIVITY>
203.5646000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
9-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.000   9.240   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -8.002   6.160   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -10.669   4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   64                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   51                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   49                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   45                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   43                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   43                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   41                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   37                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35                                                            
CONECT   37   23   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   21   42                                                  
CONECT   42   41                                                            
CONECT   43   19   12   44                                                  
CONECT   44   43                                                            
CONECT   45    9   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47    7   50                                                  
CONECT   50   49                                                            
CONECT   51    5   52   63                                                  
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   61                                                  
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60   54   62                                                  
CONECT   62   61   63                                                       
CONECT   63   62   51   64                                                  
CONECT   64   63    3                                                       
MASTER        0    0    0    0    0    0    0    0   64    0  140    0
END

View in JSmol

Synonyms

Value	Source
Toralactone 9-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl- (1->3)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranoside	ChEBI
Toralactone 9-O-b-D-glucopyranosyl-(1->6)-O-b-D-glucopyranosyl- (1->3)-O-b-D-glucopyranosyl-(1->6)-O-b-D-glucopyranoside	Generator
Toralactone 9-O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl- (1->3)-O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranoside	Generator
Naphthopyrone, cassiaside C2	MeSH
Toralactone 9-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyran osyl-(1-3)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranoside	MeSH
Toralactone 9-O-glucopyranosyl-(1-6)-O-glucopyran osyl-(1-3)-O-glucopyranosyl-(1-6)-O-glucopyranoside	MeSH

Chemical Formula

C₃₉H₅₂O₂₅

Average Mass

920.8200 Da

Monoisotopic Mass

920.27977 Da

IUPAC Name

9-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C2C(O)=C3C(=O)OC(C)=CC3=CC2=C1

InChI Identifier

InChI=1S/C39H52O25/c1-11-3-12-4-13-5-14(55-2)6-15(20(13)26(46)21(12)35(54)58-11)59-38-31(51)28(48)23(43)18(62-38)10-57-37-33(53)34(25(45)17(8-41)61-37)64-39-32(52)29(49)24(44)19(63-39)9-56-36-30(50)27(47)22(42)16(7-40)60-36/h3-6,16-19,22-25,27-34,36-53H,7-10H2,1-2H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m1/s1

InChI Key

VHWFKCUSOFJPLV-XVRRVUIKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Senna obtusifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Naphthopyranone glycoside
Naphthopyranone
Phenolic glycoside
Naphthopyran
Glycosyl compound
Isocoumarin
1-naphthol
O-glycosyl compound
2-benzopyran
Benzopyran
Naphthalene
Anisole
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Pyran
Benzenoid
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Lactone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:65598 )
organic heterotricyclic compound (CHEBI:65598 )
phenols (CHEBI:65598 )
delta-lactone (CHEBI:65598 )
tetrasaccharide derivative (CHEBI:65598 )
isochromenes (CHEBI:65598 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-4.5	ChemAxon
pKa (Strongest Acidic)	8.9	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	24	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	392.59 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	203.56 m³·mol⁻¹	ChemAxon
Polarizability	89.18 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8526278

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10350826

PDB ID

Not Available

ChEBI ID

65598

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for cassiaside c2 (NP0256147)

MOL for NP0256147 (cassiaside c2)

3D MOL for NP0256147 (cassiaside c2)

3D SDF for NP0256147 (cassiaside c2)

3D-SDF for NP0256147 (cassiaside c2)

PDB for NP0256147 (cassiaside c2)

3D PDB for NP0256147 (cassiaside c2)

SMILES for NP0256147 (cassiaside c2)

INCHI for NP0256147 (cassiaside c2)

Structure for NP0256147 (cassiaside c2)

3D Structure for NP0256147 (cassiaside c2)