NP-MRD: Showing NP-Card for robinetinidol (NP0209664)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 07:09:53 UTC

Updated at

2022-09-05 07:09:54 UTC

NP-MRD ID

NP0209664

Secondary Accession Numbers

None

Natural Product Identification

Common Name

robinetinidol

Description

Robinetinidol belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4. Thus, robinetinidol is considered to be a flavonoid. Robinetinidol 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. robinetinidol is found in Acacia baileyana, Acacia elata, Acacia mearnsii, Acacia oshanesii, Acacia silvestris, Burkea africana and Pithecellobium dulce. robinetinidol was first documented in 2018 (PMID: 30049977). Based on a literature review a small amount of articles have been published on robinetinidol (PMID: 30899831) (PMID: 35687822) (PMID: 34120298) (PMID: 30884255).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
   -5.1768    2.4066   -0.9349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3197    1.3750   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8496    0.1952   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9614   -0.8088    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5787   -0.6642    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    0.5146   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9588    1.5408   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990    0.6496   -0.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -0.1959    0.2536 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5389    0.0655    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388    0.2490   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    0.4960   -1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1079    0.6812   -2.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    0.5602   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6669    0.8076   -0.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028    0.3781    1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710    0.4384    2.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    0.1349    1.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -1.6102   -0.0945 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5258   -2.5492    0.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6959   -1.7986    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4539    3.1041   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145    0.0249   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3746   -1.7540    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    2.4549   -1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827   -0.0540    1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659    0.2073   -2.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315    0.6328   -3.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2140    0.8490    0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    0.3016    3.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.0000    2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590   -1.8162   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129   -2.1879    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -1.9175    1.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606   -2.7108   -0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 21  1  0
 21  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2  7  1  0
  7  6  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
  9 19  1  0
 18 10  1  0
  6  5  1  0
 20 33  1  0
 19 32  1  6
 21 34  1  0
 21 35  1  0
  4 24  1  0
  3 23  1  0
  1 22  1  0
  7 25  1  0
  9 26  1  1
 11 27  1  0
 13 28  1  0
 15 29  1  0
 17 30  1  0
 18 31  1  0
M  END


  Mrv1652309052209092D          

 21 23  0  0  1  0            999 V2000
   -1.4289    0.0000    0.0000 O   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
   -0.7145   -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
    0.7145   -1.2375    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
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  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
    2.8579    0.8250    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
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   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
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   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  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 10 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0209664

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1CC2=CC=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2/t12-,15+/m0/s1

> <INCHI_KEY>
GMPPKSLKMRADRM-SWLSCSKDSA-N

> <FORMULA>
C15H14O6

> <MOLECULAR_WEIGHT>
290.271

> <EXACT_MASS>
290.079038171

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
28.173019296869725

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,2,3-triol

> <JCHEM_LOGP>
1.795107015333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.744818181632233

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.771305650664525

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2728083322944626

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
73.9997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
robinetinidol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   10                                                       
CONECT   19    9   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    5                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₄O₆

Average Mass

290.2710 Da

Monoisotopic Mass

290.07904 Da

IUPAC Name

5-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzene-1,2,3-triol

Traditional Name

robinetinidol

CAS Registry Number

Not Available

SMILES

O[C@H]1CC2=CC=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2/t12-,15+/m0/s1

InChI Key

GMPPKSLKMRADRM-SWLSCSKDSA-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
Acacia baileyana	LOTUS Database	35616633
Acacia elata	LOTUS Database	35616633
Acacia mearnsii	LOTUS Database	35616633
Acacia oshanesii	LOTUS Database	35616633
Acacia silvestris	LOTUS Database	35616633
Burkea africana	LOTUS Database	35616633
Pithecellobium dulce	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavan-3-ols

Alternative Parents

Substituents

3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
Chromane
Benzopyran
1-benzopyran
Pyrogallol derivative
Benzenetriol
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Alcohol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

pentahydroxyflavan (CHEBI:68327 )
Flavans, Flavanols and Leucoanthocyanidins (LMPK12020017 )

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	1.8	ChemAxon
pKa (Strongest Acidic)	8.77	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	74 m³·mol⁻¹	ChemAxon
Polarizability	28.17 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002936

Chemspider ID

24842500

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Robinetinidol

METLIN ID

Not Available

PubChem Compound

12314983

PDB ID

Not Available

ChEBI ID

68327

Good Scents ID

Not Available

References

General References

Sarwar MW, Riaz A, Nahid N, Al Qahtani A, Ahmed N, Nawaz-Ul-Rehman MS, Younus A, Mubin M: Homology modeling and docking analysis of ssC1 protein encoded by Cotton leaf curl Multan betasatellite with different plant flavonoids. Heliyon. 2019 Mar 7;5(3):e01303. doi: 10.1016/j.heliyon.2019.e01303. eCollection 2019 Mar. [PubMed:30899831 ]
Chedjou IN, Ngouafong FT, Tchuenguem RT, Dzoyem JP, Ponou BK, Teponno RB, Barboni L, Tapondjou LA: Siamoside A: a new C-glycosylated flavone from Senna siamea (Lam.) H. S. Irwin & Barneby (Caesalpiniaceae). Nat Prod Res. 2022 Jun 10:1-9. doi: 10.1080/14786419.2022.2085699. [PubMed:35687822 ]
Ogawa S, Matsuo Y, Tanaka T, Yazaki Y: Utilization of Flavonoid Compounds from Bark and Wood. III. Application in Health Foods. Molecules. 2018 Jul 26;23(8):1860. doi: 10.3390/molecules23081860. [PubMed:30049977 ]
Kashiwada M, Nakaishi S, Usuda A, Miyahara Y, Katsumoto K, Katsura K, Terakado I, Jindo M, Nakajima S, Ogawa S, Sugiyama K, Ochiai W: Analysis of anti-obesity and anti-diabetic effects of acacia bark-derived proanthocyanidins in type 2 diabetes model KKAy mice. J Nat Med. 2021 Sep;75(4):893-906. doi: 10.1007/s11418-021-01537-7. Epub 2021 Jun 13. [PubMed:34120298 ]
Noreljaleel AEM, Kemp G, Wilhelm A, van der Westhuizen JH, Bonnet SL: Analysis of commercial proanthocyanidins. Part 5: A high resolution mass spectrometry investigation of the chemical composition of sulfited wattle (Acacia mearnsii De Wild.) bark extract. Phytochemistry. 2019 Jun;162:109-120. doi: 10.1016/j.phytochem.2018.12.008. Epub 2019 Mar 15. [PubMed:30884255 ]
LOTUS database [Link]

Showing NP-Card for robinetinidol (NP0209664)

MOL for NP0209664 (robinetinidol)

3D MOL for NP0209664 (robinetinidol)

3D SDF for NP0209664 (robinetinidol)

3D-SDF for NP0209664 (robinetinidol)

PDB for NP0209664 (robinetinidol)

3D PDB for NP0209664 (robinetinidol)

SMILES for NP0209664 (robinetinidol)

INCHI for NP0209664 (robinetinidol)

Structure for NP0209664 (robinetinidol)

3D Structure for NP0209664 (robinetinidol)