NP-MRD: Showing NP-Card for Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside (NP0045709)

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Record Information

Version

2.0

Created at

2022-03-17 19:36:10 UTC

Updated at

2022-03-17 19:36:10 UTC

NP-MRD ID

NP0045709

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv1533007131513222D          

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M  END


  Mrv1533007131513222D          

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 28 64  1  6  0  0  0
 29 65  1  1  0  0  0
 66 30  1  0  0  0  0
 31 67  1  1  0  0  0
 32 68  1  1  0  0  0
 33 69  1  6  0  0  0
 34 70  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0045709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(OC2([H])[C@]([H])(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)OC([H])(COC(=O)CC(O)=O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)OCC(O)(CO)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20?,21?,25-,26+,27?,28+,29-,30?,31-,32+,33-,34+,35?/m1/s1

> <INCHI_KEY>
UAGBVLJNVRPERW-GGBSEEMMSA-N

> <FORMULA>
C35H40O23

> <MOLECULAR_WEIGHT>
828.682

> <EXACT_MASS>
828.196037548

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
77.91080818764853

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-2.5789251306666663

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.296817037237244

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2956392756503115

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6927225410344464

> <JCHEM_POLAR_SURFACE_AREA>
367.8100000000001

> <JCHEM_REFRACTIVITY>
181.61830000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.54e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.351  -4.503   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.335  -4.932   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.074  -2.454   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.105  -3.598   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.190  -6.035   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.667   9.240   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.000   9.240   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -9.336   2.310   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -4.844  -1.120   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -6.135  -2.454   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -2.828  -4.612   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   59  H   UNK     0      -8.002  -1.540   0.000  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.667   3.080   0.000  0.00  0.00           H+0
HETATM   61  H   UNK     0      -9.336   0.770   0.000  0.00  0.00           H+0
HETATM   62  H   UNK     0      -6.668   0.770   0.000  0.00  0.00           H+0
HETATM   63  H   UNK     0      -8.002   3.080   0.000  0.00  0.00           H+0
HETATM   64  H   UNK     0      -4.001   0.770   0.000  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.334   0.770   0.000  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   67  H   UNK     0      -5.606  -2.293   0.000  0.00  0.00           H+0
HETATM   68  H   UNK     0      -5.335   3.080   0.000  0.00  0.00           H+0
HETATM   69  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   70  H   UNK     0      -1.376  -3.919   0.000  0.00  0.00           H+0
CONECT    1    2   12                                                       
CONECT    2    1   14                                                       
CONECT    3   12   15                                                       
CONECT    4   13   16                                                       
CONECT    5   13   19                                                       
CONECT    6   17   18                                                       
CONECT    7   22   23                                                       
CONECT    8   20   36                                                       
CONECT    9   21   51                                                       
CONECT   10   35   37                                                       
CONECT   11   35   52                                                       
CONECT   12    1    3   18                                                  
CONECT   13    4    5   53                                                  
CONECT   14    2   15   38                                                  
CONECT   15    3   14   39                                                  
CONECT   16    4   24   40                                                  
CONECT   17    6   24   41                                                  
CONECT   18    6   12   54                                                  
CONECT   19    5   24   54                                                  
CONECT   20    8   25   55   59                                             
CONECT   21    9   29   56   60                                             
CONECT   22    7   42   43                                                  
CONECT   23    7   44   51                                                  
CONECT   24   16   17   19                                                  
CONECT   25   20   26   45   61                                             
CONECT   26   25   27   46   62                                             
CONECT   27   26   32   47   63                                             
CONECT   28   29   30   48   64                                             
CONECT   29   21   28   57   65                                             
CONECT   30   28   33   58   66                                             
CONECT   31   34   35   49   67                                             
CONECT   32   27   55   57   68                                             
CONECT   33   30   53   56   69                                             
CONECT   34   31   52   58   70                                             
CONECT   35   10   11   31   50                                             
CONECT   36    8                                                            
CONECT   37   10                                                            
CONECT   38   14                                                            
CONECT   39   15                                                            
CONECT   40   16                                                            
CONECT   41   17                                                            
CONECT   42   22                                                            
CONECT   43   22                                                            
CONECT   44   23                                                            
CONECT   45   25                                                            
CONECT   46   26                                                            
CONECT   47   27                                                            
CONECT   48   28                                                            
CONECT   49   31                                                            
CONECT   50   35                                                            
CONECT   51    9   23                                                       
CONECT   52   11   34                                                       
CONECT   53   13   33                                                       
CONECT   54   18   19                                                       
CONECT   55   20   32                                                       
CONECT   56   21   33                                                       
CONECT   57   29   32                                                       
CONECT   58   30   34                                                       
CONECT   59   20                                                            
CONECT   60   21                                                            
CONECT   61   25                                                            
CONECT   62   26                                                            
CONECT   63   27                                                            
CONECT   64   28                                                            
CONECT   65   29                                                            
CONECT   66   30                                                            
CONECT   67   31                                                            
CONECT   68   32                                                            
CONECT   69   33                                                            
CONECT   70   34                                                            
MASTER        0    0    0    0    0    0    0    0   70    0  150    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₀O₂₃

Average Mass

828.6820 Da

Monoisotopic Mass

828.19604 Da

IUPAC Name

3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

Traditional Name

3-{[(3S,4S,6S)-5-{[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4-hydroxy-3-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid

CAS Registry Number

612844-31-2

SMILES

[H][C@@]1(OC2([H])[C@]([H])(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)OC([H])(COC(=O)CC(O)=O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)OCC(O)(CO)[C@]1([H])O

InChI Identifier

InChI=1S/C35H40O23/c36-8-20-25(45)26(46)27(47)32(55-20)57-29-21(9-51-23(44)7-22(42)43)56-33(30(28(29)48)58-34-31(49)35(50,10-37)11-52-34)53-13-4-16(40)24-17(41)6-18(54-19(24)5-13)12-1-2-14(38)15(39)3-12/h1-6,20-21,25-34,36-40,45-50H,7-11H2,(H,42,43)/t20?,21?,25-,26+,27?,28+,29-,30?,31-,32+,33-,34+,35?/m1/s1

InChI Key

UAGBVLJNVRPERW-GGBSEEMMSA-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
Capsicum annuum	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

Substituents

Anthocyanidin-3-o-glycoside
Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Anthocyanidin
O-glycosyl compound
Glycosyl compound
Benzopyran
1-benzopyran
Tricarboxylic acid or derivatives
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monosaccharide
Oxane
Monocyclic benzene moiety
Benzenoid
1,3-dicarbonyl compound
Heteroaromatic compound
Carboxylic acid ester
Secondary alcohol
Carboxylic acid
Oxacycle
Carboxylic acid derivative
Acetal
Organoheterocyclic compound
Polyol
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic cation
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	-0.14	ALOGPS
logP	-2.6	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	3.3	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	22	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	367.81 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	181.62 m³·mol⁻¹	ChemAxon
Polarizability	77.91 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001668

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44258129

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside (NP0045709)

MOL for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

3D MOL for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

3D SDF for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

3D-SDF for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

PDB for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

3D PDB for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

SMILES for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

INCHI for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

Structure for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)

3D Structure for NP0045709 (Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside)