NP-MRD: Showing NP-Card for 8-Desoxygartanin (NP0045990)

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Record Information

Version

2.0

Created at

2022-03-17 19:46:35 UTC

Updated at

2022-03-17 19:46:35 UTC

NP-MRD ID

NP0045990

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8-Desoxygartanin

Description

8-Desoxygartanin belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 8-Desoxygartanin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 8-Desoxygartanin has been detected, but not quantified in, fruits and purple mangosteens. 8-Desoxygartanin is found in Calophyllum brasiliense, Calophyllum brasiliensis, Endodesmia calophylloides, Garcinia dulcis , Garcinia intermedia, Garcinia merguensis, Garcinia nigrolineata , Garcinia speciosa, Maclura tinctoria and Toxylon pomiferum. This could make 8-desoxygartanin a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309272007452D          

 28 30  0  0  0  0            999 V2000
10000.025510000.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.739210001.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.739210002.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.025510002.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.455910002.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5894 9997.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.155410000.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4580 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4580 9998.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1748 9998.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8916 9998.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.6105 9998.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8916 9997.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0255 9997.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5860 9999.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8716 9999.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8716 9998.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5860 9998.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1607 9999.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4462 9999.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4462 9998.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1606 9998.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7345 9999.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7345 9998.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0236 9999.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3091 9999.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3091 9998.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0235 9998.3479    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
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 22 17  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 27  1  0  0  0  0
 15 26  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 28 14  1  0  0  0  0
 19  7  1  0  0  0  0
 18  6  2  0  0  0  0
  1 25  1  0  0  0  0
M  END


  Mrv1652309272007452D          

 28 30  0  0  0  0            999 V2000
10000.025510000.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.739210001.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.739210002.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.025510002.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.455910002.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5894 9997.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.155410000.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4580 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4580 9998.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1748 9998.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8916 9998.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.6105 9998.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8916 9997.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0255 9997.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5860 9999.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8716 9999.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8716 9998.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5860 9998.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1607 9999.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4462 9999.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4462 9998.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1606 9998.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7345 9999.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7345 9998.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0236 9999.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3091 9999.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3091 9998.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0235 9998.3479    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
  3  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 22 17  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 27  1  0  0  0  0
 15 26  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 28 14  1  0  0  0  0
 19  7  1  0  0  0  0
 18  6  2  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045990

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC=C3C2=O)C(CC=C(C)C)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3

> <INCHI_KEY>
GVQOVMKBYJKZSY-UHFFFAOYSA-N

> <FORMULA>
C23H24O5

> <MOLECULAR_WEIGHT>
380.4337

> <EXACT_MASS>
380.162373878

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
42.12887643865403

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one

> <ALOGPS_LOGP>
4.40

> <JCHEM_LOGP>
6.156078254000002

> <ALOGPS_LOGS>
-4.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.926905990820364

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.10918311799978

> <JCHEM_PKA_STRONGEST_BASIC>
-3.81496289806018

> <JCHEM_POLAR_SURFACE_AREA>
86.99

> <JCHEM_REFRACTIVITY>
111.24459999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.39e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-deoxygartanin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.7148668.212   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8668.0478668.984   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8668.0478670.529   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.7148671.302   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8669.3848671.302   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8664.0348662.031   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8661.3578668.212   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8669.3888666.666   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8669.3888663.576   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8670.7268664.351   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8672.0648663.576   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8673.4068664.351   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8672.0648662.031   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8666.7148662.031   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8664.0278666.663   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8662.6948665.893   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8662.6948664.353   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8664.0278663.583   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8661.3678666.662   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8660.0338665.892   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8660.0338664.353   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8661.3668663.583   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.0388665.893   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.0388664.353   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8666.7118666.662   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8665.3778665.893   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8665.3778664.353   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8666.7118663.583   0.000  0.00  0.00           C+0
CONECT    1    2   25                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6   18                                                            
CONECT    7   19                                                            
CONECT    8   23                                                            
CONECT    9   10   24                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   28                                                            
CONECT   15   16   26                                                       
CONECT   16   17   15   19                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   27    6                                                  
CONECT   19   20   16    7                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17                                                       
CONECT   23   24   25    8                                                  
CONECT   24   23   28    9                                                  
CONECT   25   26   23    1                                                  
CONECT   26   25   27   15                                                  
CONECT   27   26   28   18                                                  
CONECT   28   27   24   14                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

View in JSmol

Synonyms

Value	Source
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9H-xanthen-9-one	HMDB
8-Deoxygartanin	MeSH
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one	PhytoBank
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)xanthone	PhytoBank

Chemical Formula

C₂₃H₂₄O₅

Average Mass

380.4337 Da

Monoisotopic Mass

380.16237 Da

IUPAC Name

1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one

Traditional Name

8-deoxygartanin

CAS Registry Number

33390-41-9

SMILES

CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC=C3C2=O)C(CC=C(C)C)=C1O

InChI Identifier

InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3

InChI Key

GVQOVMKBYJKZSY-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
Calophyllum brasiliense	LOTUS Database	35616633
Calophyllum brasiliensis	Plant	KNApSAcK
Endodesmia calophylloides	Plant	KNApSAcK
Garcinia dulcis	Plant	KNApSAcK
Garcinia intermedia	LOTUS Database	35616633
Garcinia mangostana	FooDB	KNAPSACK
Garcinia merguensis	Plant	KNApSAcK
Garcinia nigrolineata	Plant	KNApSAcK
Garcinia speciosa	Plant	KNApSAcK
Maclura tinctoria	LOTUS Database	35616633
Toxylon pomiferum	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

4-prenylated xanthones

Alternative Parents

Substituents

2-prenylated xanthone
4-prenylated xanthone
Chromone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Polyol
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
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	4.4	ALOGPS
logP	6.16	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.11	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	111.24 m³·mol⁻¹	ChemAxon
Polarizability	42.13 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0030701

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002622

KNApSAcK ID

C00029600

Chemspider ID

347836

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

392450

PDB ID

Not Available

ChEBI ID

542667

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 8-Desoxygartanin (NP0045990)

MOL for NP0045990 (8-Desoxygartanin)

3D MOL for NP0045990 (8-Desoxygartanin)

3D SDF for NP0045990 (8-Desoxygartanin)

3D-SDF for NP0045990 (8-Desoxygartanin)

PDB for NP0045990 (8-Desoxygartanin)

3D PDB for NP0045990 (8-Desoxygartanin)

SMILES for NP0045990 (8-Desoxygartanin)

INCHI for NP0045990 (8-Desoxygartanin)

Structure for NP0045990 (8-Desoxygartanin)

3D Structure for NP0045990 (8-Desoxygartanin)