MiMeDB: Showing metabocard for Pyrocatechol (MMDBc0048005)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-19 21:49:31 UTC

Update Date

2022-09-01 02:13:51 UTC

Metabolite ID

MMDBc0048005

Metabolite Identification

Common Name

Pyrocatechol

Description

Pyrocatechol, often known as catechol or benzene-1,2-diol, is a benzenediol, with formula C6H4(OH)2. It was first prepared in 1839 by H. Reinsch by distilling catechin (the juice of Mimosa catechu). This colourless compound occurs naturally, but about 20000 tons are manufactured each year, mainly as precursors to pesticides, flavors, and fragrances. Its sulfonic acid is often present in the urine of many mammals. Small amounts of catechol occur naturally in fruits and vegetables, along with the enzyme polyphenol oxidase. Upon mixing the enzyme with the substrate and exposure to oxygen (as when a potato or apple is cut), the colorless catechol oxidizes to reddish-brown benzoquinone derivatives. The enzyme is inactivated by adding an acid, such as lemon juice, or by refrigeration. Excluding oxygen also prevents the browning reaction. Catechol melts at 28 °C and boils at 250 °C. It is employed in medicine as an expectorant. The dimethyl ether or veratrol is also used in medicine. Many other pyrocatechin derivatives have been suggested for therapeutic application. Pyrocatechol has also been found to be a microbial metabolite in Escherichia, Mycobacterium and Pseudomonas (PMID:19300498 ; PMID:25281236 ).

Structure

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

Synonyms

Value	Source
1,2-Benzenediol	ChEBI
1,2-Dihydroxybenzene	ChEBI
2-Hydroxyphenol	ChEBI
alpha-Hydroxyphenol	ChEBI
Brenzcatechin	ChEBI
O-Benzenediol	ChEBI
O-Hydroxyphenol	ChEBI
Pyrocatechin	ChEBI
a-Hydroxyphenol	Generator
Α-hydroxyphenol	Generator
Catechol	HMDB
Durafur developer C	HMDB
Fouramine PCH	HMDB
Fourrine 68	HMDB
O-Dihydroxybenzene	HMDB
O-Dioxybenzene	HMDB
O-Hydroquinone	HMDB
O-Phenylenediol	HMDB
Oxyphenate	HMDB
Oxyphenic acid	HMDB
Pelagol grey C	HMDB
Phthalhydroquinone	HMDB
Phthalic alcohol	HMDB
Pyrocatechine	HMDB
1,3-Dihydroxybenzene	HMDB
Catechol dipotassium salt	HMDB
Catechol, 14C-labeled CPD	HMDB
Catechol sodium salt	HMDB
Benzene-1,2-diol	PhytoBank
Pyrocatechol	PhytoBank
1,2-Hydroxybenzene	PhytoBank

Molecular Formula

C₆H₆O₂

Average Mass

110.1106

Monoisotopic Mass

110.036779436

IUPAC Name

benzene-1,2-diol

Traditional Name

catechol

CAS Registry Number

Not Available

SMILES

OC1=C(O)C=CC=C1

InChI Identifier

InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChI Key

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

catechols (CHEBI:18135 )
a catechol (CATECHOL )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	75 g/L	ALOGPS
logP	0.74	ALOGPS
logP	1.37	ChemAxon
logS	-0.17	ALOGPS
pKa (Strongest Acidic)	9.34	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	30.02 m³·mol⁻¹	ChemAxon
Polarizability	10.69 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)	splash10-0udr-1950000000-16187bb35dcb40c26e78	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03di-8900000000-4e15f35dca47661de590	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03di-9600000000-032a40483dec93738075	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03di-7900000000-83f892852c355a3863e9	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03di-9400000000-90885264baa17f65d954	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0udr-1950000000-16187bb35dcb40c26e78	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0udr-1930000000-24d2e0a8e36245d9e187	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-7900000000-8b112b8af75eb2d08676	2017-07-27	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0fl9-9730000000-a35befff1c602124f29e	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
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-01ox-9400000000-d59dce8c5e56b026f8b2	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-014i-9000000000-632cabc9b371835019c1	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-02t9-9200000000-ac902cb99981017de3b5	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (VARIAN MAT-44) , Positive	splash10-03di-8900000000-95af3d2738de98d27f26	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (Unknown) , Positive	splash10-03di-9600000000-032a40483dec93738075	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positive	splash10-03di-7900000000-f5cb1c53768e05ca1530	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0a4i-0900000000-c94dab4d218dbb3bb108	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Negative	splash10-0a4i-1900000000-edd8ba1e77bbb2f76304	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0a4i-0900000000-c94dab4d218dbb3bb108	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0a4i-1900000000-edd8ba1e77bbb2f76304	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0a4i-0900000000-12053747e62e910151ad	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-72e952ea8e487994be54	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-19b1bae28f3dfde3323a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Negative	splash10-0006-9000000000-33b2a7e7a951547dfafa	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-6e731d4eaba18fcad18f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-1900000000-a7c1a830ea96e82252bf	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-3772b2cca96bf4a1b05f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-9531f3e0c85e67d6c6ed	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-1900000000-5886b926a1814092c4b1	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-66523f3122b954e6400f	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1900000000-5fd776e479836f7464af	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9000000000-2c46a1375dbb634ef735	2015-05-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-986c93875cb12d90fa90	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-0900000000-a301685abb4194689ca3	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9500000000-2017b42835ace86f16ee	2015-05-27	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-03di-9600000000-b8e03f4f3ea89044828e	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	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

Adipose Tissue
Adrenal Gland
Blood
Bone Marrow
Brain
Feces
Intestine
Liver
Neuron
Prostate
Urine

Tissue Locations

Adipose Tissue
Adrenal Gland
Bone Marrow
Brain
Intestine
Liver
Neuron
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191747	Aldo-keto reductase family 1 member C4	Unknown	P17516	Homo sapiens
MMDBp0191942	Catechol O-methyltransferase	Unknown	P21964	Homo sapiens
MMDBp0192024	Sulfotransferase 1A3/1A4	Enzyme	P50224	Homo sapiens
MMDBp0192028	Aldo-keto reductase family 1 member C3	Unknown	P42330	Homo sapiens
MMDBp0192053	Aldo-keto reductase family 1 member C1	Unknown	Q04828	Homo sapiens
MMDBp0192054	Aldo-keto reductase family 1 member C2	Unknown	P52895	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0192149	Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase	Enzyme	Q9UQ10	Homo sapiens
MMDBp0195914	Transmembrane O-methyltransferase	Enzyme	Q8WZ04	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0008321	Cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate	Pyrocatechol	Not Available	1,2-dihydrodihydroxybenzoate dehydrogenase	VMH	30371894
MMDBr0008322	Pyrocatechol	cis,cis-Muconic acid	Not Available	Catechol 1,2-dioxygenase;	VMH	30371894
MMDBr0012776	Benzene	Pyrocatechol	Not Available	multistep reaction by bacteria	Wikipedia
MMDBr0012780	Pyrocatechol	Pyrocatechol sulfate	Not Available	conjugation; phase-II biotransformation; sulfate-conjugation	Manually annotated by MiMeDB team
MMDBr0012827	Salicylic acid	Pyrocatechol	Not Available	SALICYLATE-1-MONOOXYGENASE; salicylate 1-hydroxylase	BioCyc
MMDBr0012963	Hydrogen Ion	Pyrocatechol	Salicylate hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0012972	2-Aminobenzoic acid	Pyrocatechol	Anthranilate 1,2-dioxygenase large subunit	Oxygenation	RHEA	34755880
MMDBr0012973	2-Aminobenzoic acid	Pyrocatechol	Anthranilate 1,2-dioxygenase large subunit	Oxygenation	RHEA	34755880
MMDBr0013021	(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid	Pyrocatechol	1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0013428	cis-1,2-dihydrobenzene-1,2-diol	Pyrocatechol	Cis-1,2-dihydrobenzene-1,2-diol dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0013612	Hydrogen Ion	Pyrocatechol	Phenol hydroxylase P5 protein	Hydroxylation; Oxygenation	RHEA	34755880
MMDBr0013644	Pyrocatechol	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid	Catechol-2,3-dioxygenase	Oxygenative ring cleavage	RHEA	34755880
MMDBr0014109	2,3-Dihydroxybenzoate	Pyrocatechol	2,3-dihydroxybenzoate decarboxylase	Decarboxylation	RHEA	34755880
MMDBr0014206	3,4-dihydroxybenzoic acid	Pyrocatechol	3,4-dihydroxybenzoate decarboxylase	Decarboxylation	RHEA	34755880
MMDBr0014388	Pyrocatechol	cis,cis-Muconic acid	Catechol 1,2-dioxygenase	Oxygenation	RHEA	34755880
MMDBr0014389	Pyrocatechol	cis,cis-Muconic acid	Intradiol ring-cleavage dioxygenase hqdA	Oxygenation	RHEA	34755880
MMDBr0016886	Guaiacol	Pyrocatechol	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016889	guaethol	Acetaldehyde	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016921	Hydrogen Ion	Pyrocatechol	Phenol 2-monooxygenase, oxygenase component MhpL	Oxygenation; Reduction	RHEA	34755880
MMDBr0016922	Hydrogen Ion	Pyrocatechol	Phenol 2-monooxygenase, oxygenase component MhpL	Oxygenation; Reduction	RHEA	34755880
MMDBr0025466	Hydrogen Ion	Carbon dioxide	2-halobenzoate 1,2-dioxygenase large subunit	Oxygenation	RHEA	34755880

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
Bacteria	Proteobacteria	57	Human ; Human feces; Human sputum; Human unknown; Human subgingival plaque; Human mucosa	Metabolic reconstruction
Bacteria	Firmicutes	13	Human feces; Human	Metabolic reconstruction
Bacteria	Actinobacteria	19	Human feces; Human	Metabolic reconstruction
Bacteria/NULL	Proteobacteria	4	Human ; Human feces; Human sputum; Human unknown; Human subgingival plaque; Human mucosa	Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	1
Eukaryota/Fungi	Ascomycota	4	Human feces
Bacteria/NULL	Actinobacteria	1	Human feces; Human	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Goat	PubMed	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Feces	Detected and Quantified	20.434				nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified			0	15	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Blood	Detected and Quantified	0.612	0.101			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.665	0.093			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.666	0.17			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.677	0.177			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.714	0.201			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	1.585	0.224			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	1.673	1.103			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Feces	Detected and Quantified	10.353	4.995			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	13.9	5.0			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Blood	Detected and Quantified	3.027	2.529			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	3.269	2.507			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	4.06	1.80			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	6890513
Human Urine	Detected and Quantified	4.7		2.0	8.5	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	6.0	4.3			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	6890513
Human Feces	Detected and Quantified	8.900	2.270			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bone marrow	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21389975
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	20809621
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	20809621
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22024767
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000957

DrugBank ID

DB02232

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Catechol

METLIN ID

282

PubChem Compound

289

PDB ID

Not Available

ChEBI ID

18135

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Purba HS, Maggs JL, Orme ML, Back DJ, Park BK: The metabolism of 17 alpha-ethinyloestradiol by human liver microsomes: formation of catechol and chemically reactive metabolites. Br J Clin Pharmacol. 1987 Apr;23(4):447-53. doi: 10.1111/j.1365-2125.1987.tb03074.x. [PubMed:3555579 ]
Irons RD: Quinones as toxic metabolites of benzene. J Toxicol Environ Health. 1985;16(5):673-8. doi: 10.1080/15287398509530777. [PubMed:4093989 ]
Goodall M, Diddle AW: Epinephrine and norepinephrine in pregnancy. A comparative study of the adrenal gland and catechol output in different species of animals and man. Am J Obstet Gynecol. 1971 Dec 1;111(7):896-904. [PubMed:5118028 ]
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Showing metabocard for Pyrocatechol (MMDBc0048005)

MOL for #<Metabolite:0x000055d24b073d20>

3D MOL for #<Metabolite:0x000055d24b073d20>

3D SDF for #<Metabolite:0x000055d24b073d20>

3D-SDF for #<Metabolite:0x000055d24b073d20>

PDB for #<Metabolite:0x000055d24b073d20>

3D PDB for #<Metabolite:0x000055d24b073d20>

SMILES for #<Metabolite:0x000055d24b073d20>

INCHI for #<Metabolite:0x000055d24b073d20>

Structure for #<Metabolite:0x000055d24b073d20>

3D Structure for #<Metabolite:0x000055d24b073d20>