NP-MRD: Showing NP-Card for RA XIV (NP0071701)

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Record Information

Version

2.0

Created at

2022-04-28 17:02:52 UTC

Updated at

2022-04-28 17:02:52 UTC

NP-MRD ID

NP0071701

Secondary Accession Numbers

None

Natural Product Identification

Common Name

RA XIV

Description

(1R,4S,10R,13R,16R,19S)-2,14-dihydroxy-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25-oxa-3,6,12,15,18,32-hexaazapentacyclo[17.12.2.2²¹,²⁴.1²⁶,³⁰.0⁶,¹⁰]Hexatriaconta-2,14,21,23,26,28,30(34),35-octaene-5,7,11,17,33-pentone belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. RA XIV is found in Rubia akane and Rubia cordifolia . Based on a literature review very few articles have been published on (1R,4S,10R,13R,16R,19S)-2,14-dihydroxy-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25-oxa-3,6,12,15,18,32-hexaazapentacyclo[17.12.2.2²¹,²⁴.1²⁶,³⁰.0⁶,¹⁰]Hexatriaconta-2,14,21,23,26,28,30(34),35-octaene-5,7,11,17,33-pentone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282219022D          

 69 75  0  0  1  0            999 V2000
   -0.0745    3.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

127133  0  0  0  0  0  0  0  0999 V2000
   11.4392   -2.0205    2.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652304282219022D          

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M  END
> <DATABASE_ID>
NP0071701

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C[C@H]2N(C)C(=O)[C@H]3CCC(=O)N3C(=O)[C@H](C)NC(=O)[C@H]3CC4=CC(OC5=CC=C(C[C@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)C=C5)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C4)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C48H58N6O15/c1-24-44(62)53(5)34-20-27-9-14-30(15-10-27)67-36-22-28(11-17-35(36)68-48-41(59)40(58)39(57)37(23-55)69-48)21-33(52(4)47(34)65)43(61)50-25(2)45(63)54-31(16-18-38(54)56)46(64)51(3)32(42(60)49-24)19-26-7-12-29(66-6)13-8-26/h7-15,17,22,24-25,31-34,37,39-41,48,55,57-59H,16,18-21,23H2,1-6H3,(H,49,60)(H,50,61)/t24-,25+,31-,32-,33-,34+,37-,39-,40+,41-,48-/m1/s1

> <INCHI_KEY>
VBFILFUZIRPOGD-ZXDZYPASSA-N

> <FORMULA>
C48H58N6O15

> <MOLECULAR_WEIGHT>
959.019

> <EXACT_MASS>
958.396015192

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
127

> <JCHEM_AVERAGE_POLARIZABILITY>
96.49071336540763

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4S,10R,13R,16R,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25-oxa-3,6,12,15,18,32-hexaazapentacyclo[17.12.2.2^{21,24}.1^{26,30}.0^{6,10}]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
-0.922566682666668

> <ALOGPS_LOGS>
-4.08

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.169242267619785

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.608573095777937

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092354914205

> <JCHEM_POLAR_SURFACE_AREA>
274.34999999999997

> <JCHEM_REFRACTIVITY>
240.8154

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.97e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4S,10R,13R,16R,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25-oxa-3,6,12,15,18,32-hexaazapentacyclo[17.12.2.2^{21,24}.1^{26,30}.0^{6,10}]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -0.139   7.182   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.879   8.531   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.139   9.934   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.394   9.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.157   8.444   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.400   7.098   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.877   6.412   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.439   6.296   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       5.834   5.532   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       7.155   6.195   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.930   3.976   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.605   3.083   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.181   3.033   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       8.597   3.664   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       9.875   2.787   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.788   1.194   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.279   3.433   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      11.444   4.974   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      12.842   5.643   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      14.269   4.913   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      12.986   7.183   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      11.741   8.091   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      11.639   9.605   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.897  10.857   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.599  10.542   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       9.204   9.876   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       7.946  10.762   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.174  12.361   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.538  10.108   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.810  11.491   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.569  12.430   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.225  11.648   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.816  12.346   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.449  11.458   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.841  13.914   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.163  14.723   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.528  13.990   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       0.437  14.684   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.496  16.218   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.806  17.039   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.747  18.578   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.616  19.295   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.919  18.474   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       1.859  16.935   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       3.281  19.192   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       3.341  20.731   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       0.676  20.834   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      -2.049  19.399   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -2.169  16.322   0.000  0.00  0.00           O+0
HETATM   50  N   UNK     0       6.351   8.541   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0       5.003   7.759   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       4.450   9.116   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       7.572   7.596   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      11.232  12.270   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      12.220   9.555   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      11.629  11.106   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      13.760   9.552   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      14.233   8.086   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      10.602   6.297   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      12.638   2.503   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      12.377   1.002   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      13.559   0.015   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      13.295  -1.502   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      11.849  -2.032   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      10.667  -1.045   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      10.931   0.472   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      11.586  -3.549   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      12.768  -4.536   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       6.827   1.420   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   51                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   69                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   60                                                  
CONECT   18   17   19   59                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   58                                                  
CONECT   22   21   23   55                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   54                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   50                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33    3                                                       
CONECT   35   33   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36   31                                                       
CONECT   38   35   39                                                       
CONECT   39   38   40   44                                                  
CONECT   40   39   41   49                                                  
CONECT   41   40   42   48                                                  
CONECT   42   41   43   47                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43   39                                                       
CONECT   45   43   46                                                       
CONECT   46   45                                                            
CONECT   47   42                                                            
CONECT   48   41                                                            
CONECT   49   40                                                            
CONECT   50   29   51   53                                                  
CONECT   51   50    8   52                                                  
CONECT   52   51                                                            
CONECT   53   50                                                            
CONECT   54   25                                                            
CONECT   55   22   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58                                                       
CONECT   58   57   21                                                       
CONECT   59   18                                                            
CONECT   60   17   61                                                       
CONECT   61   60   62   66                                                  
CONECT   62   61   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65   67                                                  
CONECT   65   64   66                                                       
CONECT   66   65   61                                                       
CONECT   67   64   68                                                       
CONECT   68   67                                                            
CONECT   69   13                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  150    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₈H₅₈N₆O₁₅

Average Mass

959.0190 Da

Monoisotopic Mass

958.39602 Da

IUPAC Name

(1R,4S,10R,13R,16R,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-25-oxa-3,6,12,15,18,32-hexaazapentacyclo[17.12.2.2^{21,24}.1^{26,30}.0^{6,10}]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C[C@H]2N(C)C(=O)[C@H]3CCC(=O)N3C(=O)[C@H](C)NC(=O)[C@H]3CC4=CC(OC5=CC=C(C[C@H](N(C)C(=O)[C@@H](C)NC2=O)C(=O)N3C)C=C5)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C4)C=C1

InChI Identifier

InChI=1S/C48H58N6O15/c1-24-44(62)53(5)34-20-27-9-14-30(15-10-27)67-36-22-28(11-17-35(36)68-48-41(59)40(58)39(57)37(23-55)69-48)21-33(52(4)47(34)65)43(61)50-25(2)45(63)54-31(16-18-38(54)56)46(64)51(3)32(42(60)49-24)19-26-7-12-29(66-6)13-8-26/h7-15,17,22,24-25,31-34,37,39-41,48,55,57-59H,16,18-21,23H2,1-6H3,(H,49,60)(H,50,61)/t24-,25+,31-,32-,33-,34+,37-,39-,40+,41-,48-/m1/s1

InChI Key

VBFILFUZIRPOGD-ZXDZYPASSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Rubia akane	Plant	KNApSAcK
Rubia cordifolia	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Lignan glycosides

Sub Class

Not Available

Direct Parent

Lignan glycosides

Alternative Parents

Substituents

Lignan glycoside
Phenolic glycoside
Macrolactam
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Diaryl ether
Alpha-amino acid or derivatives
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Benzenoid
2-pyrrolidone
Pyrrolidone
Oxane
Carboxylic acid imide, n-substituted
Monosaccharide
Monocyclic benzene moiety
Cyclic carboximidic acid
Tertiary carboxylic acid amide
Pyrrolidine
Dicarboximide
Carboxylic acid imide
Secondary alcohol
Lactam
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Ether
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	1.54	ALOGPS
logP	-0.92	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	10.61	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	274.35 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	240.82 m³·mol⁻¹	ChemAxon
Polarizability	96.49 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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163076749

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for RA XIV (NP0071701)

MOL for NP0071701 (RA XIV)

3D MOL for NP0071701 (RA XIV)

3D SDF for NP0071701 (RA XIV)

3D-SDF for NP0071701 (RA XIV)

PDB for NP0071701 (RA XIV)

3D PDB for NP0071701 (RA XIV)

SMILES for NP0071701 (RA XIV)

INCHI for NP0071701 (RA XIV)

Structure for NP0071701 (RA XIV)

3D Structure for NP0071701 (RA XIV)