NP-MRD: Showing NP-Card for Petunidin (NP0046034)

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Record Information

Version

2.0

Created at

2022-03-17 19:47:19 UTC

Updated at

2022-03-17 19:47:19 UTC

NP-MRD ID

NP0046034

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Petunidin

Description

Petunidin, also known as petunidol or Pt, belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone. Thus, petunidin is considered to be a flavonoid lipid molecule. Petunidin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Petunidin is found, on average, in the highest concentration within a few different foods, such as bilberries, cowpea, and vaccinium (blueberry, cranberry, huckleberry) and in a lower concentration in java plums, black chokeberries, and wheats. Petunidin has also been detected, but not quantified in, several different foods, such as barley, apples, red wines, ryes, and triticales. This could make petunidin a potential biomarker for the consumption of these foods. Petunidin is found in Amonum subulatum, Apis cerana, Ginkgo biloba , Malva sylvestris , Passiflora quadrangularis , Pereskia aculeata, Solanum tuberosum subsp. Andigena , Valeriana spryginii and Vicia faba. Petunidin was first documented in 2005 (PMID: 16254886). An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5' (PMID: 30612223) (PMID: 16277406) (PMID: 23993625) (PMID: 24363205) (PMID: 24483298) (PMID: 24506267).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303062020162D          

 23 25  0  0  0  0            999 V2000
10000.7363 9998.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.8802 9999.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.596210000.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.452310002.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.880210001.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8812 9997.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.453710000.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.881910000.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1674 9999.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1674 9998.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8818 9998.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.308810000.1979    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
 9998.5943 9999.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5943 9998.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3088 9998.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0233 9998.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0233 9999.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.451610001.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.737210001.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.737210000.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4516 9999.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.166110000.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.166110001.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
  1 16  1  0  0  0  0
 13  8  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  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
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 20  1  0  0  0  0
 22  2  1  0  0  0  0
 23  5  1  0  0  0  0
 18  4  1  0  0  0  0
M  CHG  1  12   1
M  END
> <DATABASE_ID>
NP0046034

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1

> <INCHI_KEY>
AFOLOMGWVXKIQL-UHFFFAOYSA-O

> <FORMULA>
C16H13O7

> <MOLECULAR_WEIGHT>
317.2702

> <EXACT_MASS>
317.06612777

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
31.09922292192083

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium

> <ALOGPS_LOGP>
2.43

> <JCHEM_LOGP>
2.797599999999999

> <ALOGPS_LOGS>
-3.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.813704967776694

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.99308793532469

> <JCHEM_PKA_STRONGEST_BASIC>
-4.912946742864687

> <JCHEM_POLAR_SURFACE_AREA>
123.52000000000001

> <JCHEM_REFRACTIVITY>
90.57629999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAR-20         0                                  
HETATM    1  O   UNK     0    8668.0418663.951   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8672.0438666.272   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8673.3808667.045   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8669.3788670.893   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8672.0438669.352   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8662.7128662.403   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8660.0478667.045   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8662.7138667.036   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8661.3798666.266   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8661.3798664.726   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8662.7138663.956   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8665.3768667.036   0.000  0.00  0.00           O+1
HETATM   13  C   UNK     0    8664.0438666.266   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8664.0438664.726   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.3768663.956   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8666.7108664.726   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8666.7108666.266   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8669.3768669.354   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8668.0438668.584   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8668.0438667.044   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8669.3768666.274   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8670.7108667.044   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8670.7108668.584   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2    3   22                                                       
CONECT    3    2                                                            
CONECT    4   18                                                            
CONECT    5   23                                                            
CONECT    6   11                                                            
CONECT    7    9                                                            
CONECT    8    9   13                                                       
CONECT    9    8   10    7                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6   14                                                  
CONECT   12   13   17                                                       
CONECT   13   14   12    8                                                  
CONECT   14   13   15   11                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17    1                                                  
CONECT   17   16   12   20                                                  
CONECT   18   19   23    4                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   17                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23    2                                                  
CONECT   23   22   18    5                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium	ChEBI
3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium	ChEBI
Petunidin chloride	ChEBI
Petunidol	ChEBI
Pt	ChEBI
Petunidin	HMDB

Chemical Formula

C₁₆H₁₃O₇

Average Mass

317.2702 Da

Monoisotopic Mass

317.06613 Da

IUPAC Name

2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium

Traditional Name

2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium

CAS Registry Number

1429-30-7

SMILES

COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O

InChI Identifier

InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1

InChI Key

AFOLOMGWVXKIQL-UHFFFAOYSA-O

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
Actinidia chinensis	FooDB	USDA
Allium cepa L.	FooDB	USDA
Amelanchier alnifolia	FooDB	USDA
Amonum subulatum	-	KNApSAcK
Anacardium occidentale	FooDB	USDA
Ananas comosus	FooDB	USDA
Apis cerana	LOTUS Database	35616633
Apium graveolens	FooDB	USDA
Arachis hypogaea	FooDB	USDA
Bertholletia excelsa	FooDB	USDA
Brassica oleracea var. italica	FooDB	USDA
Brassica ruvo	FooDB	USDA
Carya illinoinensis	FooDB	USDA
Citrullus lanatus	FooDB	USDA
Citrus paradisi	FooDB	USDA
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	USDA
Corylus	FooDB	USDA
Crocus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis melo	FooDB	USDA
Cynara scolymus	FooDB	USDA
Daucus carota ssp. sativus	FooDB	USDA
Ficus carica	FooDB	USDA
Fragaria x ananassa	FooDB	USDA
Ginkgo biloba	Plant	KNApSAcK
Hippophae rhamnoides	FooDB	USDA
Juglans regia	FooDB	USDA
Lactuca sativa	FooDB	USDA
Macadamia	FooDB	USDA
Malus pumila	FooDB	USDA
Malva sylvestris	Plant	KNApSAcK
Musa acuminata	FooDB	USDA
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Passiflora quadrangularis	Plant	KNApSAcK
Pereskia aculeata	LOTUS Database	35616633
Persea americana	FooDB	USDA
Phaseolus vulgaris	FooDB	USDA
Phoenix dactylifera	FooDB	USDA
Photinia melanocarpa	FooDB	USDA
Pinus edulis	FooDB	USDA
Pistacia vera	FooDB	USDA
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus avium	FooDB	USDA
Prunus avium L.	FooDB	USDA
Prunus domestica	FooDB	USDA
Prunus dulcis	FooDB	USDA
Prunus persica	FooDB	USDA
Prunus persica var. nucipersica	FooDB	USDA
Punica granatum	FooDB	USDA
Pyrus communis	FooDB	USDA
Raphanus sativus	FooDB	USDA
Ribes nigrum	FooDB	USDA
Sambucus nigra L.	FooDB	USDA
Solanum lycopersicum	FooDB	USDA
Solanum tuberosum	FooDB	USDA
Solanum tuberosum subsp. Andigena	Plant	KNApSAcK
Syzygium cumini	FooDB	USDA
Triticum	FooDB	USDA
Vaccinium	FooDB	USDA
Vaccinium corymbosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Valeriana spryginii	Plant	KNApSAcK
Vicia faba	LOTUS Database	35616633
Vigna unguiculata	FooDB	USDA
Vitis	FooDB	PHYTOHUB
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

3'-O-methylated flavonoids

Alternative Parents

Substituents

3p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Anthocyanidin
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Catechol
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Organoheterocyclic compound
Ether
Oxacycle
Polyol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

anthocyanidin cation (CHEBI:75318 )
Anthocyanidins (C08727 )
Anthocyanidins (LMPK12010005 )

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	2.43	ALOGPS
logP	2.8	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	5.99	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	123.52 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	90.58 m³·mol⁻¹	ChemAxon
Polarizability	31.1 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

HMDB0003173

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

FDB002755

KNApSAcK ID

Not Available

Chemspider ID

390371

KEGG Compound ID

C08727

BioCyc ID

CPD-15003

BiGG ID

Not Available

Wikipedia Link

Petunidin

METLIN ID

Not Available

PubChem Compound

441774

PDB ID

Not Available

ChEBI ID

75318

Good Scents ID

Not Available

References

General References

Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]
Garcia-Alonso M, Rimbach G, Sasai M, Nakahara M, Matsugo S, Uchida Y, Rivas-Gonzalo JC, De Pascual-Teresa S: Electron spin resonance spectroscopy studies on the free radical scavenging activity of wine anthocyanins and pyranoanthocyanins. Mol Nutr Food Res. 2005 Dec;49(12):1112-9. doi: 10.1002/mnfr.200500100. [PubMed:16254886 ]
Lo Piero AR, Puglisi I, Rapisarda P, Petrone G: Anthocyanins accumulation and related gene expression in red orange fruit induced by low temperature storage. J Agric Food Chem. 2005 Nov 16;53(23):9083-8. doi: 10.1021/jf051609s. [PubMed:16277406 ]
Rustioni L, Di Meo F, Guillaume M, Failla O, Trouillas P: Tuning color variation in grape anthocyanins at the molecular scale. Food Chem. 2013 Dec 15;141(4):4349-57. doi: 10.1016/j.foodchem.2013.07.006. Epub 2013 Jul 9. [PubMed:23993625 ]
Son JE, Lee E, Jung SK, Kim JE, Oak MH, Lee KW, Lee HJ: Anthocyanidins, novel FAK inhibitors, attenuate PDGF-BB-induced aortic smooth muscle cell migration and neointima formation. Cardiovasc Res. 2014 Mar 1;101(3):503-12. doi: 10.1093/cvr/cvt337. Epub 2013 Dec 20. [PubMed:24363205 ]
Lee S, Jung ES, Do SG, Jung GY, Song G, Song JM, Lee CH: Correlation between species-specific metabolite profiles and bioactivities of blueberries (Vaccinium spp.). J Agric Food Chem. 2014 Mar 5;62(9):2126-33. doi: 10.1021/jf405272b. Epub 2014 Feb 24. [PubMed:24483298 ]
Oszmianski J, Kolniak-Ostek J, Wojdylo A: Characterization of phenolic compounds and antioxidant activity of Solanum scabrum and Solanum burbankii berries. J Agric Food Chem. 2014 Feb 19;62(7):1512-9. doi: 10.1021/jf4045233. Epub 2014 Feb 7. [PubMed:24506267 ]
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Showing NP-Card for Petunidin (NP0046034)

MOL for NP0046034 (Petunidin)

3D MOL for NP0046034 (Petunidin)

3D SDF for NP0046034 (Petunidin)

3D-SDF for NP0046034 (Petunidin)

PDB for NP0046034 (Petunidin)

3D PDB for NP0046034 (Petunidin)

SMILES for NP0046034 (Petunidin)

INCHI for NP0046034 (Petunidin)

Structure for NP0046034 (Petunidin)

3D Structure for NP0046034 (Petunidin)