NP-MRD: Showing NP-Card for (1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione (NP0236991)

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Record Information

Version

2.0

Created at

2022-09-06 20:01:27 UTC

Updated at

2022-09-06 20:01:27 UTC

NP-MRD ID

NP0236991

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

Description

(1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Based on a literature review very few articles have been published on (1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 41  0  0  0  0  0  0  0  0999 V2000
    0.3668   -0.5739    1.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.2043    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    0.2156    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.5622    0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3538   -0.6384    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932   -1.5401    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5157   -1.6910    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0858   -0.9544   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2773   -0.0819   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306    0.0836   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902    0.9865   -1.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037    1.0875   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675    1.8304   -0.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206    1.1351    0.4483 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8780    0.2340    1.4679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    0.8972   -0.7482 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3918   -0.3288   -1.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0410    1.1637   -0.5457 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3038    2.3994    0.0404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8198    0.1342    0.1913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5103    0.0444    1.5454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8472   -1.2246   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8387   -1.9874    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    0.8714   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -1.2034    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571   -2.1359    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1634   -2.3944    1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1349   -1.0846   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7031    0.5152   -1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208    1.5175   -2.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949    2.1754    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -0.6964    1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2472    1.6529   -1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998   -0.7186   -1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5040    1.2306   -1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1685    2.4422    0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8955    0.4873    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9028    0.8316    1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9178   -1.7952   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1680   -1.1133   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5551   -1.4155    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
 18 16  1  0
 16 17  1  0
 16 14  1  0
 14 15  1  0
 14 12  1  0
 12 13  2  0
 12  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  5  1  0
 23 41  1  0
 22 39  1  0
 22 40  1  0
 20 37  1  1
 21 38  1  0
 18 35  1  6
 19 36  1  0
 16 33  1  6
 17 34  1  0
 14 31  1  1
 15 32  1  0
  3 24  1  0
  4 25  1  0
  6 26  1  0
  7 27  1  0
  8 28  1  0
  9 29  1  0
 11 30  1  0
M  END


  Mrv1652309062222012D          

 23 23  0  0  1  0            999 V2000
    1.4289   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    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
   -1.4289   -0.8250    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   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  2  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
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236991

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)\C=C\C1=CC=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-5-8-3-1-2-4-9(8)17/h1-6,11,13-17,19,21-23H,7H2/b6-5+/t11-,13-,14+,15+/m1/s1

> <INCHI_KEY>
BUNVNWZTWWZAPP-YSGQUSEASA-N

> <FORMULA>
C15H18O8

> <MOLECULAR_WEIGHT>
326.301

> <EXACT_MASS>
326.10016754

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
31.30453710356109

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

> <JCHEM_LOGP>
-0.7350324676666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.956307559137356

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.166786803695388

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9742201212341994

> <JCHEM_POLAR_SURFACE_AREA>
155.51999999999998

> <JCHEM_REFRACTIVITY>
79.5652

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0       2.667  -6.160   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000  -1.540   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335  -6.160   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.002  -6.160   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.003  -3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10                                                            
CONECT   12    2   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₈O₈

Average Mass

326.3010 Da

Monoisotopic Mass

326.10017 Da

IUPAC Name

(1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

Traditional Name

(1E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

CAS Registry Number

Not Available

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)\C=C\C1=CC=CC=C1O

InChI Identifier

InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-5-8-3-1-2-4-9(8)17/h1-6,11,13-17,19,21-23H,7H2/b6-5+/t11-,13-,14+,15+/m1/s1

InChI Key

BUNVNWZTWWZAPP-YSGQUSEASA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acids and derivatives

Alternative Parents

Substituents

Hydroxycinnamic acid or derivatives
Fatty alcohol
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acyl
Benzenoid
Monosaccharide
Beta-hydroxy ketone
Monocyclic benzene moiety
Alpha-diketone
Acyloin
Alpha,beta-unsaturated ketone
Enone
Alpha-hydroxy ketone
Acryloyl-group
Secondary alcohol
Ketone
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	-0.74	ChemAxon
pKa (Strongest Acidic)	8.17	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	155.52 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	79.57 m³·mol⁻¹	ChemAxon
Polarizability	31.3 Å³	ChemAxon
Number of Rings	1	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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METLIN ID

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PubChem Compound

163187971

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References

General References

LOTUS database [Link]

Showing NP-Card for (1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione (NP0236991)

MOL for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

3D MOL for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

3D SDF for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

3D-SDF for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

PDB for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

3D PDB for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

SMILES for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

INCHI for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

Structure for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)

3D Structure for NP0236991 ((1e,5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione)