NP-MRD: Showing NP-Card for Gentiakochianin (NP0051709)

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Record Information

Version

2.0

Created at

2022-04-27 22:58:25 UTC

Updated at

2022-04-27 22:58:26 UTC

NP-MRD ID

NP0051709

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Gentiakochianin

Description

Swertianin, also known as gentiakochianin, belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Gentiakochianin is found in Chironia krebsii, Gentiana acaulis, Gentiana bavarica, Gentiana brachyphalla, Gentiana brachyphylla, Gentiana japonica, Gentiana kochiana , Gentiana lactea, Gentiana nivalis, Gentiana ramosa, Gentiana strictiflora, Gentiana verna, Gentianopsis barbata, Orphium frutescens, Swertia angustifolia , Swertia calycina, Swertia chirata , Swertia ciliata, Swertia dilatata, Swertia erythrosticata, Swertia fasciculata, Swertia gracilescens, Swertia hookeri, Swertia japonica , Swertia macrosperma, Swertia nervosa, Swertia paniculata , Swertia perennis, Swertia perfoliata, Swertia pseudochinensis, Swertia punicea, Swertia punicea var.lutescens, Swertia purpurescens, Swertia racemosa , Swertia speciosa and Swertia thomsonii. Gentiakochianin was first documented in 2004 (PMID: 15807240). Swertianin is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 21985644) (PMID: 24378350) (PMID: 24877112).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.4180   -0.8779   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182   -1.1490   -0.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883   -0.6833   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    0.0358    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.5108    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055    1.2200    2.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533    0.2155    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    0.6415    0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    1.3015    1.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7874    0.3136    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0279    0.7319    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188    1.4656    1.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686    0.4318   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3977    0.8844    0.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0316   -0.2909   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -0.7287   -1.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735   -0.4110   -1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913   -0.8036   -1.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765   -0.5112   -0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288   -0.9501   -1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2466   -1.4565   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    0.2044   -0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3078   -1.0528    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8199    0.2702    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    1.6147    2.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480    1.7811    2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2165    0.6546   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020   -0.5379   -1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757   -1.3015   -2.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -1.5228   -2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 17 16  1  0
 16 15  2  0
 15 13  1  0
 13 14  1  0
 13 11  2  0
 11 12  1  0
 20  3  1  0
 19  7  1  0
 11 10  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  4 24  1  0
  6 25  1  0
 20 30  1  0
 16 29  1  0
 15 28  1  0
 14 27  1  0
 12 26  1  0
M  END


  Mrv1652310081719132D          

 20 22  0  0  0  0            999 V2000
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19  1  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 20 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C=CC(O)=C3O

> <INCHI_IDENTIFIER>
InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3

> <INCHI_KEY>
BDBVOZGRVBXANN-UHFFFAOYSA-N

> <FORMULA>
C14H10O6

> <MOLECULAR_WEIGHT>
274.228

> <EXACT_MASS>
274.047738042

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
26.19379396139417

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2,8-trihydroxy-6-methoxy-9H-xanthen-9-one

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
3.1912729896666665

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.736452777117378

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.072947693610859

> <JCHEM_PKA_STRONGEST_BASIC>
-3.732803923898913

> <JCHEM_POLAR_SURFACE_AREA>
96.22

> <JCHEM_REFRACTIVITY>
69.22220000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.86e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
swertianin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-OCT-17         0                                  
HETATM    1  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
CONECT    1   19                                                            
CONECT    2    3    7                                                       
CONECT    3    2    9                                                       
CONECT    4    6    8                                                       
CONECT    5    6   10                                                       
CONECT    6    4    5   19                                                  
CONECT    7    2   13   15                                                  
CONECT    8    4   11   16                                                  
CONECT    9    3   12   20                                                  
CONECT   10    5   11   20                                                  
CONECT   11    8   10   14                                                  
CONECT   12    9   13   14                                                  
CONECT   13    7   12   17                                                  
CONECT   14   11   12   18                                                  
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17   13                                                            
CONECT   18   14                                                            
CONECT   19    1    6                                                       
CONECT   20    9   10                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Value	Source
1,2,8-Trihydroxy-6-methoxyxanthone	ChEBI
Gentiakochianin	ChEBI

Chemical Formula

C₁₄H₁₀O₆

Average Mass

274.2280 Da

Monoisotopic Mass

274.04774 Da

IUPAC Name

1,2,8-trihydroxy-6-methoxy-9H-xanthen-9-one

Traditional Name

swertianin

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C=CC(O)=C3O

InChI Identifier

InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3

InChI Key

BDBVOZGRVBXANN-UHFFFAOYSA-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
Chironia krebsii	Plant	KNApSAcK
Gentiana acaulis	LOTUS Database	35616633
Gentiana bavarica	Plant	KNApSAcK
Gentiana brachyphalla	Plant	KNApSAcK
Gentiana brachyphylla	Plant	KNApSAcK
Gentiana japonica	Plant	KNApSAcK
Gentiana kochiana	Plant	KNApSAcK
Gentiana lactea	Plant	KNApSAcK
Gentiana nivalis	Plant	KNApSAcK
Gentiana ramosa	Plant	KNApSAcK
Gentiana strictiflora	Plant	KNApSAcK
Gentiana verna	LOTUS Database	35616633
Gentianopsis barbata	LOTUS Database	35616633
Orphium frutescens	LOTUS Database	35616633
Swertia angustifolia	Plant	KNApSAcK
Swertia calycina	Plant	KNApSAcK
Swertia chirata	Plant	KNApSAcK
Swertia ciliata	LOTUS Database	35616633
Swertia dilatata	Plant	KNApSAcK
Swertia erythrosticata	Plant	KNApSAcK
Swertia fasciculata	Plant	KNApSAcK
Swertia gracilescens	Plant	KNApSAcK
Swertia hookeri	Plant	KNApSAcK
Swertia japonica	Plant	KNApSAcK
Swertia macrosperma	Plant	KNApSAcK
Swertia nervosa	Plant	KNApSAcK
Swertia paniculata	Plant	KNApSAcK
Swertia perennis	Plant	KNApSAcK
Swertia perfoliata	Plant	KNApSAcK
Swertia pseudochinensis	Plant	KNApSAcK
Swertia punicea	Plant	KNApSAcK
Swertia punicea var.lutescens	Plant	KNApSAcK
Swertia purpurescens	Plant	KNApSAcK
Swertia racemosa	Plant	KNApSAcK
Swertia speciosa	Plant	KNApSAcK
Swertia thomsonii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Chromone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Polyol
Ether
Oxacycle
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:9371 )
polyphenol (CHEBI:9371 )
xanthones (CHEBI:9371 )
xanthenes (C10092 )

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	2.53	ALOGPS
logP	3.19	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	8.07	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	96.22 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.22 m³·mol⁻¹	ChemAxon
Polarizability	26.19 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0166157

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002974

Chemspider ID

Not Available

KEGG Compound ID

C10092

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281661

PDB ID

Not Available

ChEBI ID

9371

Good Scents ID

Not Available

References

General References

Qing Z, Jiachun C, Yanwen L: [Study on chemical constituents from Swertia kauitchensis Franch]. Zhong Yao Cai. 2004 Dec;27(12):908-10. [PubMed:15807240 ]
Singh PP, Ambika, Chauhan SM: Activity-guided isolation of antioxidant xanthones from Swertia chirayita (Roxb.) H. Karsten (Gentianaceae). Nat Prod Res. 2012;26(18):1682-6. doi: 10.1080/14786419.2011.592836. Epub 2011 Oct 10. [PubMed:21985644 ]
Mahendran G, Thamotharan G, Sengottuvelu S, Narmatha Bai V: RETRACTED: Anti-diabetic activity of Swertia corymbosa (Griseb.) Wight ex C.B. Clarke aerial parts extract in streptozotocin induced diabetic rats. J Ethnopharmacol. 2014 Feb 12;151(3):1175-1183. doi: 10.1016/j.jep.2013.12.032. Epub 2013 Dec 27. [PubMed:24378350 ]
Mahendran G, Thamotharan G, Sengottuvelu S, Bai VN: Evaluation of anticonvulsant, sedative, anxiolytic, and phytochemical profile of the methanol extract from the aerial parts of Swertia corymbosa (Griseb.) wight ex C.B. Clarke. Biomed Res Int. 2014;2014:542385. doi: 10.1155/2014/542385. Epub 2014 Apr 27. [PubMed:24877112 ]

Showing NP-Card for Gentiakochianin (NP0051709)

MOL for NP0051709 (Gentiakochianin)

3D MOL for NP0051709 (Gentiakochianin)

3D SDF for NP0051709 (Gentiakochianin)

3D-SDF for NP0051709 (Gentiakochianin)

PDB for NP0051709 (Gentiakochianin)

3D PDB for NP0051709 (Gentiakochianin)

SMILES for NP0051709 (Gentiakochianin)

INCHI for NP0051709 (Gentiakochianin)

Structure for NP0051709 (Gentiakochianin)

3D Structure for NP0051709 (Gentiakochianin)