MiMeDB: Showing metabocard for Gallic acid (MMDBc0029691)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:37:44 UTC

Update Date

2024-09-27 19:36:41 UTC

Metabolite ID

MMDBc0029691

Metabolite Identification

Common Name

Gallic acid

Description

Gallic acid (GA) is an organic acid, also known as 3,4,5-trihydroxybenzoic acid, found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. Plants, bacteria and fungi are capable of synthesizing gallic acid. Shikimate dehydrogenase (SDH), a shikimate pathway enzyme essential for aromatic amino acid synthesis, is required for gallic acid production in Escherichia coli. SDH catalyzes NADPH-dependent reduction of 3-DHS (3-dehydroshikimate) to shikimic acid (SA), which is ultimately used to produce the aromatic amino acids l-tyrosine, l-tryptophan, and l-phenylalanine. SDH also catalyzes NADP+-dependent dehydrogenation of SA to 3-DHS, but also the dehydrogenation of 3-DHS to GA.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

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      -2.895  -2.730   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.229  -1.960   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.563  -2.730   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.563  -4.270   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.229  -5.040   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.895  -4.270   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.896  -1.960   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -6.897  -5.040   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -4.229  -6.580   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.562  -1.960   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.562  -0.420   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -0.228  -2.730   0.000  0.00  0.00           O+0
CONECT    1    2    6   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    1                                                       
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9    5                                                            
CONECT   10    1   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
3,4,5-Trihydroxybenzoic acid	ChEBI
Pyrogallol-5-carboxylic acid	ChEBI
3,4,5-Trihydroxybenzoate	Kegg
Pyrogallol-5-carboxylate	Generator
Gallate	Generator
Acid, gallic	MeSH
3,4,5-Trihydroxy-benzoate	HMDB
3,4,5-Trihydroxy-benzoic acid	HMDB
3,4,5-Trihydroxybenzoic acid (acd/name 4.0)	HMDB
Gallic acid polymer	HMDB
Gallic acid tech.	HMDB
Galop	HMDB
3,4,5-Hydroxybenzoic acid	PhytoBank
Gallic acid	HMDB

Molecular Formula

C₇H₆O₅

Average Mass

170.12

Monoisotopic Mass

170.021523293

IUPAC Name

3,4,5-trihydroxybenzoic acid

Traditional Name

galop

CAS Registry Number

149-91-7

SMILES

OC(=O)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

InChI Key

LNTHITQWFMADLM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gallic acids. These are organic compounds that contain a 3,4,5-trihydroxybenzoic acid moiety.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Gallic acids

Alternative Parents

Substituents

Gallic acid
Benzenetriol
Benzoic acid
Pyrogallol derivative
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Polyol
Organic oxygen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

trihydroxybenzoic acid (CHEBI:30778 )
Gallotannins (C01424 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.94 g/L	ALOGPS
logP	1.17	ALOGPS
logP	0.72	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	3.94	ChemAxon
pKa (Strongest Basic)	-6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	39.26 m³·mol⁻¹	ChemAxon
Polarizability	14.75 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-001i-0791200000-4d3e1baed2effb0bf15b	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-053r-0491700000-68a1d17dd1d0bb6c5354	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0fk9-5900000000-6b43adb858d50b520ba7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-001i-0791200000-4d3e1baed2effb0bf15b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-053r-0491700000-68a1d17dd1d0bb6c5354	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-001i-0691200000-8b11cbd28f656c4426b4	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fmi-1900000000-56bf9b5e0a68a9c0776a	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-00xu-4009300000-4326897e134d4856b180	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0umi-0900000000-e8e6e57cdaf8d518781a	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0a59-9600000000-8b3c3dc9e263c174a0ac	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0ue9-9000000000-da4704e31ba4de6b3aca	2012-07-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-52) , Positive	splash10-0fk9-5900000000-425a258abda96a507ea0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-014i-0900000000-951aa8106825faaca3f9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-004i-0900000000-bdedf4b4b4fd922ec704	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-004i-5900000000-46d7a232b169910da462	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-004i-9300000000-010429242e38b1b28c13	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0g29-9100000000-fb4dc241b26c248950f7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - DI-ESI-qTof , Positive	splash10-0ufr-0900000000-8e1ce790677a7c04e580	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - DI-ESI-qTof , Negative	splash10-004i-0900000000-8999270f1e2b746047f7	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-014i-0900000000-880097b21bcd57ec8f77	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-0900000000-bdedf4b4b4fd922ec704	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-5900000000-bf4cb2a480d9abb570d4	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9300000000-63bfcc112fc600a150de	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0g29-9100000000-fb4dc241b26c248950f7	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-00di-0900000000-6a9289e729e66d03cf50	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-00di-0900000000-175241488c5f0956df1f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0kor-0900000000-1ceb76e12bc399878e0d	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0900000000-8e403dcee60bc20ba7b4	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0fb9-0900000000-20a78444c2179ed7730f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00os-9800000000-3011ae50626d9c15fadd	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0900000000-bceef5d1a34c38d340ed	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00or-0900000000-bbec391317d064ab4d89	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00or-8900000000-049b564c5923498a6f3e	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0fk9-2900000000-1949ca7ce1b8b610c278	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, experimental)		2015-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, D₂O, experimental)		2015-03-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

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
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0194143	Glycine N-acyltransferase	Enzyme	Q6IB77	Homo sapiens
MMDBp0197061	Sulfotransferase 1A3	Enzyme	P0DMM9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Free radical scavenger		Chemical reaction		Pubchem	28415050
Neuroprotective		Animal_model	Rat	PubMed	31362009

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	3	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Bacteria	Firmicutes	2	Human ; Human feces
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Bos taurus	FooDB	Shin Tsen, Jinyi Siew, Eunice Lau, Farzana A qah Bte Roslee, Hui Chan, Wai Loke Cow–•s milk as a dietary source of equol and phenolic antioxidants: di erential distribution in the milk aqueous and lipid fractions. Dairy Sci. & Technol. (2014) 94:625–†632. DOI 10.1007/s13594-014-0183-4
Animal	Milk	Bos taurus	FooDB	Shin Tsen, Jinyi Siew, Eunice Lau, Farzana A qah Bte Roslee, Hui Chan, Wai Loke Cow–•s milk as a dietary source of equol and phenolic antioxidants: di erential distribution in the milk aqueous and lipid fractions. Dairy Sci. & Technol. (2014) 94:625–†632. DOI 10.1007/s13594-014-0183-4
Animal	Milk	Bos taurus	FooDB	Shin Tsen, Jinyi Siew, Eunice Lau, Farzana A qah Bte Roslee, Hui Chan, Wai Loke Cow–•s milk as a dietary source of equol and phenolic antioxidants: di erential distribution in the milk aqueous and lipid fractions. Dairy Sci. & Technol. (2014) 94:625–†632. DOI 10.1007/s13594-014-0183-4
Animal	Milk	Bos taurus	FooDB	Shin Tsen, Jinyi Siew, Eunice Lau, Farzana A qah Bte Roslee, Hui Chan, Wai Loke Cow–•s milk as a dietary source of equol and phenolic antioxidants: di erential distribution in the milk aqueous and lipid fractions. Dairy Sci. & Technol. (2014) 94:625–†632. DOI 10.1007/s13594-014-0183-4
Food	Cocoa products	Theobroma cacao	FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Manually Annotated
Food			FooDB	22397579
Food		Coffea arabica	FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food		Coffea canephora	FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Maria Amargianitaki and Apostolos Spyros. NMR-based metabolomics in wine quality control and authentication. Amargianitaki and Spyros Chem. Biol. Technol. Agric. (2017) 4:9 DOI 10.1186/s40538-017-0092-x
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food			FooDB	Phenol Explorer
Food	Beer	Barley	FooDB	Not Available
Food			FooDB	Phenol Explorer
Food			FooDB	Manually Annotated
Food			FooDB	Phenol Explorer
Food			FooDB	12617582
Plant	Fruit	Citrus x paradisi	FooDB	Phenol Explorer
Plant	Fruit	Citrus x paradisi	FooDB	Phenol Explorer
Plant	Plant	Thymus vulgaris	FooDB	DUKE
Plant		Tilia tomentosa	FooDB	Phenol Explorer
Plant		Syzygium cumini	FooDB	24285751
Plant	Fruit	Pyrus communis	FooDB	Phenol Explorer
Plant	Oil	Olea europaea	FooDB	Phenol Explorer
Plant	Plant	Vaccinium corymbosum	FooDB	DUKE
Plant		Lens culinaris	FooDB	Phenol Explorer
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Cuminum cyminum	FooDB	Phenol Explorer
Plant		Cuminum cyminum	FooDB	Phenol Explorer
Plant	Root bark	Solanum tuberosum	FooDB	DUKE
Plant		Hyssopus officinalis	FooDB	Phenol Explorer
Plant	Fruit	Rubus idaeus	FooDB	Phenol Explorer
Plant	Fruit	Juglans regia	FooDB	DUKE
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Thymus vulgaris	FooDB	Phenol Explorer
Plant	Fruit juice	Punica granatum	FooDB	DUKE
Plant		Rubus	FooDB	PhytoHub
Plant		Psidium guajava	FooDB	24285751
Plant	Pericarp	Punica granatum	FooDB	DUKE
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant	Fruit	Rubus idaeus	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant		Allium sativum	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	Manually Annotated
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Illicium verum	FooDB	Phenol Explorer
Plant	Juice	Hippophae rhamnoides	FooDB	Phenol Explorer
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant		Melissa officinalis	FooDB	Phenol Explorer
Plant	Fruit	Hippophae rhamnoides	FooDB	24285751
Plant		Foeniculum vulgare	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Mentha spicata	FooDB	Phenol Explorer
Plant		Mentha spicata	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant		Laurus nobilis	FooDB	Phenol Explorer
Plant	Juice	Malus pumila	FooDB	Phenol Explorer
Plant	Juice	Punica granatum	FooDB	Phenol Explorer
Plant		Origanum majorana	FooDB	Phenol Explorer
Plant		Manilkara zapota	FooDB	24285751
Plant		Origanum majorana	FooDB	Phenol Explorer
Plant	Fruit	Phoenix dactylifera	FooDB	Phenol Explorer
Plant	Root	Zingiber officinale	FooDB	Phenol Explorer
Plant		Rosmarinus officinalis	FooDB	Phenol Explorer
Plant	Fruit	Vaccinium corymbosum	FooDB	Phenol Explorer
Plant	Root	Daucus carota ssp. sativus	FooDB	Phenol Explorer
Plant	Fruit	Phoenix dactylifera	FooDB	Phenol Explorer
Plant		Pimenta dioica	FooDB	24285751
Plant	Fruit	Vaccinium corymbosum	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant	Fruit	Malus pumila	FooDB	Phenol Explorer
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Tea		FooDB	PhytoHub
Plant		Matricaria recutita	FooDB	Phenol Explorer
Plant	Seed	Trigonella foenum-graecum	FooDB	Phenol Explorer
Plant	Plant	Prunus cerasus	FooDB	DUKE
Plant	Seed	Juglans nigra	FooDB	DUKE
Plant		Trigonella foenum-graecum	FooDB	Phenol Explorer
Plant		Brassica oleracea var. botrytis	FooDB	Phenol Explorer
Plant	Sprout	Glycine max	FooDB	Phenol Explorer
Plant		Pimpinella anisum	FooDB	Phenol Explorer
Plant	Plant	Artemisia dracunculus	FooDB	DUKE
Plant		Cinnamomum verum	FooDB	Phenol Explorer
Plant	Fruit	Solanum melongena	FooDB	Phenol Explorer
Plant		Anethum graveolens	FooDB	Phenol Explorer
Plant	Fruit	Solanum melongena	FooDB	Phenol Explorer
Plant	Fruit juice	Vaccinium myrtillus	FooDB	DUKE
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant	Fruit	Ribes nigrum	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Punica granatum	FooDB	24285751
Plant	Fruit	Vitis vinifera	FooDB	DUKE
Plant		Coriandrum sativum	FooDB	Phenol Explorer
Plant	Leaves		FooDB	DUKE
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant	Fruit	Rubus	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant	Leaves		FooDB	DUKE
Plant		Coriandrum sativum	FooDB	Phenol Explorer
Plant	Fruit	Rubus	FooDB	17896814
Plant	Pulp	Pyrus communis	FooDB	A. Escarpa and M. C. Gonzalez. Evaluation of High-Performance Liquid Chromatography for Determination of Phenolic Compounds in Pear Horticultural Cultivars. Chromatographia Vol. 51, No. 1/2, January 2000, 37-43
Plant	Fruit	Rubus	FooDB	17896814
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant	Fruit	Rubus chamaemorus	FooDB	Phenol Explorer
Plant		Musa acuminata	FooDB	Phenol Explorer
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant	Peel	Pyrus communis	FooDB	A. Escarpa and M. C. Gonzalez. Evaluation of High-Performance Liquid Chromatography for Determination of Phenolic Compounds in Pear Horticultural Cultivars. Chromatographia Vol. 51, No. 1/2, January 2000, 37-43
Plant	Fruit	Fragaria x ananassa	FooDB	Phenol Explorer
Plant	Pulp	Pyrus communis	FooDB	A. Escarpa and M. C. Gonzalez. Evaluation of High-Performance Liquid Chromatography for Determination of Phenolic Compounds in Pear Horticultural Cultivars. Chromatographia Vol. 51, No. 1/2, January 2000, 37-43
Plant	Fruit	Vaccinium virgatum	FooDB	Sellappan S, Akoh CC, Krewer G. Phenolic Compounds and Antioxidant Capacity of Georgia-Grown Blueberries and Blackberries. 2002. J. Agric. Food Chem. 2002, 50, 2432-2438
Plant		Cichorium intybus var. foliosum	FooDB	Phenol Explorer
Plant		Elettaria cardamomum	FooDB	Phenol Explorer
Plant	Fruit	Olea europaea	FooDB	DUKE
Plant		Cichorium intybus var. foliosum	FooDB	Phenol Explorer
Plant		Malus pumila	FooDB	PhytoHub
Plant	Fruit	Fragaria x ananassa	FooDB	S.Hakkinen, M. Heinonen, S. Karenlampi, H. Mykkanen, J. Ruuskanen, R. Torronen. Screening of selected flavonoids and phenolic acids in 19 berries. Food Research International 32 (1999) 345-353. https://www.sciencedirect.com/science/article/pii/S0963996999000952
Plant	Fruit	Ceratonia siliqua	FooDB	DUKE
Plant	Leaves	Origanum vulgare	FooDB	DUKE
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant	Top part	Brassica rapa var. rapa	FooDB	Phenol Explorer
Plant	Peel	Pyrus communis	FooDB	A. Escarpa and M. C. Gonzalez. Evaluation of High-Performance Liquid Chromatography for Determination of Phenolic Compounds in Pear Horticultural Cultivars. Chromatographia Vol. 51, No. 1/2, January 2000, 37-43
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant	Leaves		FooDB	DUKE
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant	Pulp	Pyrus communis	FooDB	A. Escarpa and M. C. Gonzalez. Evaluation of High-Performance Liquid Chromatography for Determination of Phenolic Compounds in Pear Horticultural Cultivars. Chromatographia Vol. 51, No. 1/2, January 2000, 37-43
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant	Fruit	Olea europaea	FooDB	Phenol Explorer
Plant	Fruit	Syzygium aromaticum	FooDB	DUKE
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	Phenol Explorer
Plant		Piper nigrum	FooDB	Phenol Explorer
Plant		Mango	FooDB	Not Available
Plant		Red raspberry	FooDB	Not Available
Plant		Ocimum basilicum	FooDB	Phenol Explorer
Plant		Tarragon	FooDB	Not Available
Plant		Corn	FooDB	Not Available
Plant	Fruit	Psidium guajava	FooDB	DUKE
Plant	Fruit	Rubus occidentalis	FooDB	Phenol Explorer
Plant		Carum carvi	FooDB	Phenol Explorer
Plant	Tea	Camellia sinensis	FooDB	PhytoHub
Plant		Lens culinaris	FooDB	Phenol Explorer
Plant		Salvia officinalis	FooDB	Phenol Explorer
Plant		Salvia officinalis	FooDB	Phenol Explorer
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Myristica fragrans	FooDB	Phenol Explorer
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Seed	Anacardium occidentale	FooDB	DUKE
Plant	Plant	Oenothera biennis	FooDB	DUKE
Plant		Myristica fragrans	FooDB	Phenol Explorer
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Syzygium aromaticum	FooDB	Phenol Explorer
Plant	Flower	Mangifera indica	FooDB	DUKE
Plant		Origanum vulgare	FooDB	Phenol Explorer
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Juice	Vitis vinifera	FooDB	Phenol Explorer
Plant	Fruit	Malus pumila	FooDB	DUKE
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant		Solanum melongena	FooDB	Manually Annotated
Plant	Nut	Castanea	FooDB	Phenol Explorer
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant	Leaves	Castanea sativa	FooDB	DUKE
Plant	Fruit	Vitis vinifera	FooDB	24285751
Plant	Leaves	Camellia sinensis	FooDB	DUKE
Plant	Leaves	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Juice	Rubus idaeus	FooDB	DUKE
Plant	Leaves	Glycine max	FooDB	DUKE
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer
Plant	Plant	Salvia officinalis	FooDB	DUKE
Plant		Petroselinum crispum	FooDB	Phenol Explorer
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant	Fruit	Syzygium cumini	FooDB	DUKE
Plant		Castanea	FooDB	PhytoHub
Plant	Stem	Beta vulgaris ssp. cicla	FooDB	Phenol Explorer

Source Type	Activity	Data Source	Reference
Not Available	Antioxidant	U.S. Environmental Protection Agency	CompTox
Not Available	Neurotoxicity	U.S. Environmental Protection Agency	CompTox
General Exposome	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected and Quantified	0.001				uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.002				uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.003				umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.0267				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Urine	Detected and Quantified	0.0473				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Urine	Detected and Quantified	0.0533				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	17426744
Human Urine	Detected and Quantified	0.213				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Blood	Detected and Quantified			0	0.058	uM	Adult (>18 years old)	Both	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.002	0			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.003	0.001			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.003	0.001			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.005	0.004			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.006	0.001			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.007	0.003			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.008	0.005			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.01	0.005			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.019	0.052			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16197573
Human Urine	Detected and Quantified	0.0617	0.0740			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified	0.073	0.06			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	17426744
Human Urine	Detected and Quantified	0.107	0.160			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Urine	Detected and Quantified	0.110	0.130			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16870009
Human Urine	Detected and Quantified	0.38	0.092			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	16197573
Human Feces	Detected and Quantified	11.874	0.353			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	12.0504	0.0588			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	12.873	1.411			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	13.873	4.526			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Blood	Detected and Quantified	2.09	0.22			uM	Adult (>18 years old)	Both	Normal	HMDB	11285327
Human Urine	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22932811
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0005807

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Gallic_acid

METLIN ID

3295

PubChem Compound

370

PDB ID

Not Available

ChEBI ID

30778

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bajpai B, Patil S: A new approach to microbial production of gallic acid. Braz J Microbiol. 2008 Oct;39(4):708-11. doi: 10.1590/S1517-838220080004000021. Epub 2008 Dec 1. [PubMed:24031294 ]

Showing metabocard for Gallic acid (MMDBc0029691)

MOL for #<Metabolite:0x00007fdb222e8100>

3D MOL for #<Metabolite:0x00007fdb222e8100>

3D SDF for #<Metabolite:0x00007fdb222e8100>

3D-SDF for #<Metabolite:0x00007fdb222e8100>

PDB for #<Metabolite:0x00007fdb222e8100>

3D PDB for #<Metabolite:0x00007fdb222e8100>

SMILES for #<Metabolite:0x00007fdb222e8100>

INCHI for #<Metabolite:0x00007fdb222e8100>

Structure for #<Metabolite:0x00007fdb222e8100>

3D Structure for #<Metabolite:0x00007fdb222e8100>