NP-MRD: Showing NP-Card for Limocitrin (NP0045399)

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Record Information

Version

2.0

Created at

2022-03-17 19:19:18 UTC

Updated at

2022-03-17 19:19:18 UTC

NP-MRD ID

NP0045399

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Limocitrin

Description

Limocitrin, also known as sedoflorigenin, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, limocitrin is considered to be a flavonoid lipid molecule. Limocitrin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Limocitrin has been detected, but not quantified in, citrus and lemons. Limocitrin is found in Citrus unshiu, Coronilla valentina, Dryas octopetala , Erica cinerea, Haplophyllum acutifolium, Lotus corniculatus , Sedum acre and Sedum laconicum. This could make limocitrin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.3991    2.5417    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    1.3133    0.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    0.0810    0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910   -0.0336    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087   -1.2543    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244   -1.2486    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934   -0.0615    0.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441    0.1278   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007    1.4360   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371    2.5051   -0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7598    3.0865   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454    1.6206   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084    2.9458   -0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5142    0.5713   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334   -0.7572   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9181   -1.7835   -0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938   -0.9824   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -2.2356   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8336   -3.2710   -0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -2.3650    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456   -3.6445    0.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -2.3729    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491   -2.2630    0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880   -1.0549    0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777   -0.9623    1.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955    3.2990    0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9869    2.8284    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071    2.5512   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199    0.9075    0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    4.0392   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    2.3461   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031    3.2530   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910    3.7316   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5745    0.6901   -0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7887   -2.7242   -0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7947   -4.4735    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -3.3759    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1411   -3.1765    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900   -1.8346    1.1526 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 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
  5  6  1  0
  6 20  2  0
 20 21  1  0
 20 18  1  0
 18 19  2  0
 18 17  1  0
 17  8  2  0
  8  7  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 24  3  1  0
  7  6  1  0
 15 17  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
 22 37  1  0
 23 38  1  0
 25 39  1  0
 21 36  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 16 35  1  0
M  END


  Mrv0541 02241219092D          

 25 27  0  0  0  0            999 V2000
   -2.0852   -1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635   -1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212   -1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212   -2.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635   -3.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3635    1.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    2.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    0.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438    1.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438    1.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    3.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852   -1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852   -0.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634   -3.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -2.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -3.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0045399

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3

> <INCHI_KEY>
IBXCKSUZOFKGSB-UHFFFAOYSA-N

> <FORMULA>
C17H14O8

> <MOLECULAR_WEIGHT>
346.2883

> <EXACT_MASS>
346.068867424

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
33.26039674196105

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
1.97

> <JCHEM_LOGP>
2.1445222543333333

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.909457567236872

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.959815841971961

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9946367370673697

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
87.8077

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.40e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
limocitrin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.892  -3.293   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.545  -2.544   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.346  -3.443   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.346  -4.940   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.545  -5.689   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.545   3.443   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.197   4.192   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.001   3.443   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.001   1.796   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.346   1.047   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.695   1.946   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.695   3.443   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.346   4.192   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.346   5.689   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       3.892  -3.293   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.695  -2.694   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.695  -1.197   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.892  -0.450   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.545  -5.689   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.346  -0.450   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.001  -1.197   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.001  -2.694   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.346  -3.443   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.346  -4.940   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.001  -5.689   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5   25                                                  
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13    8   12   14                                                  
CONECT   14   13                                                            
CONECT   15   16                                                            
CONECT   16   15   17   23                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17                                                            
CONECT   19   24                                                            
CONECT   20   10   17   21                                                  
CONECT   21   20   22                                                       
CONECT   22    3   21   23                                                  
CONECT   23   16   22   24                                                  
CONECT   24   19   23   25                                                  
CONECT   25    4   24                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one, 9ci	HMDB
4',5,7-Trihydroxy-3',8-dimethoxyflavonol	HMDB
Gossypetin 3',8-dimethyl ether	HMDB
Sedoflorigenin	HMDB

Chemical Formula

C₁₇H₁₄O₈

Average Mass

346.2883 Da

Monoisotopic Mass

346.06887 Da

IUPAC Name

3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-chromen-4-one

Traditional Name

limocitrin

CAS Registry Number

489-33-8

SMILES

COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O

InChI Identifier

InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3

InChI Key

IBXCKSUZOFKGSB-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
Citrus limon	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus unshiu	LOTUS Database	35616633
Coronilla valentina	Plant	KNApSAcK
Dryas octopetala	Plant	KNApSAcK
Erica cinerea	Plant	KNApSAcK
Haplophyllum acutifolium	LOTUS Database	35616633
Lotus corniculatus	Plant	KNApSAcK
Sedum acre	LOTUS Database	35616633
Sedum laconicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3p-methoxyflavonoid-skeleton
8-methoxyflavonoid-skeleton
3-hydroxyflavonoid
4'-hydroxyflavonoid
Hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Chromone
Benzopyran
Methoxyphenol
1-benzopyran
Methoxybenzene
Phenol ether
Anisole
Phenoxy compound
Pyranone
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Pyran
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12113241 )

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	1.97	ALOGPS
logP	2.14	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.96	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	87.81 m³·mol⁻¹	ChemAxon
Polarizability	33.26 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

HMDB0029516

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB000652

KNApSAcK ID

C00004731

Chemspider ID

4590163

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5489485

PDB ID

Not Available

ChEBI ID

542813

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Limocitrin (NP0045399)

MOL for NP0045399 (Limocitrin)

3D MOL for NP0045399 (Limocitrin)

3D SDF for NP0045399 (Limocitrin)

3D-SDF for NP0045399 (Limocitrin)

PDB for NP0045399 (Limocitrin)

3D PDB for NP0045399 (Limocitrin)

SMILES for NP0045399 (Limocitrin)

INCHI for NP0045399 (Limocitrin)

Structure for NP0045399 (Limocitrin)

3D Structure for NP0045399 (Limocitrin)