MiMeDB: Showing metabocard for Peonidin (MMDBc0033696)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:59:21 UTC

Update Date

2024-09-27 19:29:42 UTC

Metabolite ID

MMDBc0033696

Metabolite Identification

Common Name

Peonidin

Description

Peonidin is an anthocyanin, which is a class of polyphenol. Anthocyanins are plant pigments found in many red berries including grape and grape skin. The cell wall of S. cerevisiae is permeable to anthocyanins and as a consequence the anthocyanins can be retained by yeast during wine-making; this adsorption can have an influence on wine color. Anthocyanins can react with yeast metabolites to form pyranoanthocyanins, which are more stable pigments formed during wine ageing and are of great importance for the color of aged wines. [PMID: 12822951 ] [PMID: 17303275 ]

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305221920052D          

 22 24  0  0  0  0            999 V2000
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    2.1434   -0.4125    0.0000 C   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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21  1  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  2  0  0  0  0
 22 16  1  0  0  0  0
M  CHG  1  22   1
M  END
> <DATABASE_ID>
MMDBc0033696

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(O)C=CC(=C1)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1

> <INCHI_IDENTIFIER>
InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1

> <INCHI_KEY>
XFDQJKDGGOEYPI-UHFFFAOYSA-O

> <FORMULA>
C16H13O6

> <MOLECULAR_WEIGHT>
301.2708

> <EXACT_MASS>
301.071213148

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
30.137943363322044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.90

> <JCHEM_LOGP>
3.082

> <ALOGPS_LOGS>
-4.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.8248954317188755

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.012336535390854

> <JCHEM_PKA_STRONGEST_BASIC>
-4.90136353188422

> <JCHEM_POLAR_SURFACE_AREA>
103.29

> <JCHEM_REFRACTIVITY>
88.59539999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.42e-02 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+1
CONECT    1   21                                                            
CONECT    2    3    8                                                       
CONECT    3    2   11                                                       
CONECT    4    8   15                                                       
CONECT    5    9   12                                                       
CONECT    6    9   14                                                       
CONECT    7   10   13                                                       
CONECT    8    2    4   16                                                  
CONECT    9    5    6   17                                                  
CONECT   10    7   12   14                                                  
CONECT   11    3   15   18                                                  
CONECT   12    5   10   19                                                  
CONECT   13    7   16   20                                                  
CONECT   14    6   10   22                                                  
CONECT   15    4   11   21                                                  
CONECT   16    8   13   22                                                  
CONECT   17    9                                                            
CONECT   18   11                                                            
CONECT   19   12                                                            
CONECT   20   13                                                            
CONECT   21    1   15                                                       
CONECT   22   14   16                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

Synonyms

Value	Source
3,4',5,7-Tetrahydroxy-3'-methoxyflavylium	ChEBI
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium	ChEBI
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride	ChEBI
Peonidin cation	ChEBI
Peonidin(1+)	ChEBI

Molecular Formula

C₁₆H₁₃O₆

Average Mass

301.2708

Monoisotopic Mass

301.071213148

IUPAC Name

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

Traditional Name

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

CAS Registry Number

134-01-0

SMILES

COC1=C(O)C=CC(=C1)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1

InChI Identifier

InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1

InChI Key

XFDQJKDGGOEYPI-UHFFFAOYSA-O

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
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Anthocyanidin
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
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:75314 )
Anthocyanidins (C08726 )
Anthocyanidins (LMPK12010006 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.024 g/L	ALOGPS
logP	1.9	ALOGPS
logP	3.08	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	6.01	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	103.29 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	88.6 m³·mol⁻¹	ChemAxon
Polarizability	30.14 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fk9-0691000000-84b3d0e544b6a7a62296	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ( TMS) - 70eV, Positive	splash10-00xr-1012090000-b83c67ee3325ce653d58	2017-10-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 21V, positive	splash10-0udi-0029000000-7965142f0e637a01a39d	2020-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT 21V, positive	splash10-000i-0090000000-e5f1890c4c1ee032ffa8	2020-07-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0009000000-593a90502ef88db9b6ec	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udr-0097000000-089b2aa92da11eab883d	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-1970000000-dc287a8cd231867d44dc	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0009000000-1e7e6fcb1bde542bcd8a	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0029000000-ea86521c274e006e6dd4	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-4950000000-5caf71b895882a8dcfbe	2016-08-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Plant		Vitis vinifera	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant	Flower	Pisum sativum	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Ribes nigrum	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant	Fruit	Ribes nigrum	FooDB	31437929
Plant	Fruit	Prunus cerasus	FooDB	31437929
Plant	Fruit	Prunus cerasus	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Prunus cerasus	FooDB	31437929
Plant	Plant	Ipomoea batatas	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant	Fruit	Vaccinium macrocarpon	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Prunus domestica	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Prunus cerasus	FooDB	31437929
Plant	Fruit	Phoenix dactylifera	FooDB	31437929
Plant		Allium cepa var. cepa	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant	Fruit	Ribes rubrum	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant	Fruit	Ribes rubrum	FooDB	31437929
Plant	Fruit	Vaccinium myrtillus	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant	Fruit	Ficus carica	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant	Fruit	Vitis vinifera	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant	Fruit	Vaccinium	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant	Fruit	Vaccinium	FooDB	31437929
Plant	Bean	Phaseolus vulgaris	FooDB	31437929
Plant	Fruit	Persea americana	FooDB	31437929
Plant	Fruit	Vaccinium	FooDB	31437929
Plant	Fruit	Vaccinium	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant	Fruit	Ribes uva-crispa	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant	Fruit	Prunus avium	FooDB	31437929
Plant	Plant	Origanum vulgare	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Photinia melanocarpa	FooDB	31437929
Plant	Fruit	Vaccinium myrtillus	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Fruit	Vaccinium corymbosum	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant	Fruit	Malus pumila	FooDB	31437929
Plant	Inflorescence	Musa x paradisiaca	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017306

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

CPD-15052

BiGG ID

Not Available

Wikipedia Link

Peonidin

METLIN ID

Not Available

PubChem Compound

441773

PDB ID

Not Available

ChEBI ID

75314

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]

Showing metabocard for Peonidin (MMDBc0033696)

MOL for #<Metabolite:0x00007f46e096a068>

3D MOL for #<Metabolite:0x00007f46e096a068>

3D SDF for #<Metabolite:0x00007f46e096a068>

3D-SDF for #<Metabolite:0x00007f46e096a068>

PDB for #<Metabolite:0x00007f46e096a068>

3D PDB for #<Metabolite:0x00007f46e096a068>

SMILES for #<Metabolite:0x00007f46e096a068>

INCHI for #<Metabolite:0x00007f46e096a068>

Structure for #<Metabolite:0x00007f46e096a068>

3D Structure for #<Metabolite:0x00007f46e096a068>